2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol

C24H41NO3 — CID 67606714

IUPAC2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol
SMILESCOc1cc(O[C@@H](C)CCCC(C)C)ccc1CCC(N)(CO)CC1CCC1
InChIInChI=1S/C24H41NO3/c1-18(2)7-5-8-19(3)28-22-12-11-21(23(15-22)27-4)13-14-24(25,17-26)16-20-9-6-10-20/h11-12,15,18-20,26H,5-10,13-14,16-17,25H2,1-4H3/t19-,24?/m0/s1
InChIKeySDBOBRDJDUJBRI-XGLRFROISA-N
MW391.60 g/mol
LogP5.10
Rot. Bonds13

About 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol

2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol (PubChem CID 67606714) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol
PubChem CID67606714
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol
SMILESCOc1cc(O[C@@H](C)CCCC(C)C)ccc1CCC(N)(CO)CC1CCC1
InChIInChI=1S/C24H41NO3/c1-18(2)7-5-8-19(3)28-22-12-11-21(23(15-22)27-4)13-14-24(25,17-26)16-20-9-6-10-20/h11-12,15,18-20,26H,5-10,13-14,16-17,25H2,1-4H3/t19-,24?/m0/s1
InChIKeySDBOBRDJDUJBRI-XGLRFROISA-N
XLogP5.10
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol with MolForge

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Related Compounds

2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-(5-methylhexoxy)phenyl]butan-1-ol
CID 67608514
(2S)-2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-(8-methylnonoxy)phenyl]butan-1-ol
CID 67606683
2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol
CID 67605906
(2S)-2-amino-2-[2-[2-methoxy-4-(6-methylheptan-2-yloxy)phenyl]ethyl]-3-methylbutan-1-ol
CID 67607892
2-amino-2-(cyclobutylmethyl)-4-[3-methoxy-4-(5-methylhexoxy)phenyl]butan-1-ol
CID 67606375
2-[3-amino-3-(hydroxymethyl)pentyl]-5-[(2S)-6-methylheptan-2-yl]oxyphenol
CID 67615962
2-amino-2-(cyclobutylmethyl)-4-[3-methoxy-4-(8-methylnonoxy)phenyl]butan-1-ol
CID 67608990
(2S)-2-amino-2-[2-[2-methoxy-4-(9-methyldecoxy)phenyl]ethyl]-4-methylpentan-1-ol
CID 67606430
2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol
CID 67606722
2-amino-2-(cyclopropylmethyl)-4-[3-methoxy-4-(5-methylhexoxy)phenyl]butan-1-ol
CID 67608435
(2S)-2-amino-2-[2-[4-(5,9-dimethyldecoxy)-2-methoxyphenyl]ethyl]-3-methylbutan-1-ol
CID 67608481
5-[3-amino-3-(cyclopropylmethyl)-4-hydroxybutyl]-2-(7-methyloctoxy)phenol
CID 67606667

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol?
The IUPAC name of 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol (CID 67606714) is 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol.
What is the SMILES notation for 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol?
The canonical SMILES for 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol is COc1cc(O[C@@H](C)CCCC(C)C)ccc1CCC(N)(CO)CC1CCC1.
What is the InChIKey of 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol?
The InChIKey is SDBOBRDJDUJBRI-XGLRFROISA-N. The full InChI is InChI=1S/C24H41NO3/c1-18(2)7-5-8-19(3)28-22-12-11-21(23(15-22)27-4)13-14-24(25,17-26)16-20-9-6-10-20/h11-12,15,18-20,26H,5-10,13-14,16-17,25H2,1-4H3/t19-,24?/m0/s1.
What are the key properties of 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol?
2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol has a molecular weight of 391.60 g/mol, XLogP of 5.10, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol is sourced from PubChem (CID 67606714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).