2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol

C24H41NO3 — CID 67606722

IUPAC2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol
SMILESCOc1cc(CCC(N)(CO)CC2CC2)ccc1OCC(C)CCCC(C)C
InChIInChI=1S/C24H41NO3/c1-18(2)6-5-7-19(3)16-28-22-11-10-20(14-23(22)27-4)12-13-24(25,17-26)15-21-8-9-21/h10-11,14,18-19,21,26H,5-9,12-13,15-17,25H2,1-4H3
InChIKeyLKEIYZMJKUGAEX-UHFFFAOYSA-N
MW391.60 g/mol
LogP4.96
Rot. Bonds14

About 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol

2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol (PubChem CID 67606722) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol
PubChem CID67606722
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol
SMILESCOc1cc(CCC(N)(CO)CC2CC2)ccc1OCC(C)CCCC(C)C
InChIInChI=1S/C24H41NO3/c1-18(2)6-5-7-19(3)16-28-22-11-10-20(14-23(22)27-4)12-13-24(25,17-26)15-21-8-9-21/h10-11,14,18-19,21,26H,5-9,12-13,15-17,25H2,1-4H3
InChIKeyLKEIYZMJKUGAEX-UHFFFAOYSA-N
XLogP4.96
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol with MolForge

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Related Compounds

(2S)-2-amino-2-(cyclopropylmethyl)-4-[4-(3,7-dimethyloctoxy)-3-methoxyphenyl]butan-1-ol
CID 67607377
2-amino-2-(cyclopropylmethyl)-4-[3-methoxy-4-(5-methylhexoxy)phenyl]butan-1-ol
CID 67608435
(2S)-2-amino-2-(cyclopropylmethyl)-4-[3-methoxy-4-(7-methyloctoxy)phenyl]butan-1-ol
CID 67606205
2-amino-2-(cyclobutylmethyl)-4-[3-methoxy-4-(5-methylhexoxy)phenyl]butan-1-ol
CID 67606375
2-amino-2-(cyclobutylmethyl)-4-[3-methoxy-4-(8-methylnonoxy)phenyl]butan-1-ol
CID 67608990
2-amino-2-[2-[4-(5,9-dimethyldecoxy)-3-methoxyphenyl]ethyl]-4-methylpentan-1-ol
CID 67606707
2-amino-2-[2-[4-(3,7-dimethyloctoxy)-3-methoxyphenyl]ethyl]-4-methylpentan-1-ol
CID 67608062
5-[3-amino-3-(cyclopropylmethyl)-4-hydroxybutyl]-2-(7-methyloctoxy)phenol
CID 67606667
(2S)-2-amino-2-[2-[3-methoxy-4-(9-methyldecoxy)phenyl]ethyl]-3-methylbutan-1-ol
CID 67606839
2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol
CID 67606714
(2S)-2-amino-2-(cyclobutylmethyl)-4-[2-methoxy-4-(8-methylnonoxy)phenyl]butan-1-ol
CID 67606683
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol?
The IUPAC name of 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol (CID 67606722) is 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol.
What is the SMILES notation for 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol?
The canonical SMILES for 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol is COc1cc(CCC(N)(CO)CC2CC2)ccc1OCC(C)CCCC(C)C.
What is the InChIKey of 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol?
The InChIKey is LKEIYZMJKUGAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-18(2)6-5-7-19(3)16-28-22-11-10-20(14-23(22)27-4)12-13-24(25,17-26)15-21-8-9-21/h10-11,14,18-19,21,26H,5-9,12-13,15-17,25H2,1-4H3.
What are the key properties of 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol?
2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol has a molecular weight of 391.60 g/mol, XLogP of 4.96, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol is sourced from PubChem (CID 67606722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).