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

C23H41NO3 — CID 67605906

IUPAC2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol
SMILESCOc1cc(O[C@@H](C)CCCC(C)C)ccc1CCC(N)(CO)CC(C)C
InChIInChI=1S/C23H41NO3/c1-17(2)8-7-9-19(5)27-21-11-10-20(22(14-21)26-6)12-13-23(24,16-25)15-18(3)4/h10-11,14,17-19,25H,7-9,12-13,15-16,24H2,1-6H3/t19-,23?/m0/s1
InChIKeyZWYPNXPQTXJCEN-HSTJUUNISA-N
MW379.59 g/mol
LogP4.96
Rot. Bonds13

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

2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol (PubChem CID 67605906) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol
PubChem CID67605906
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol
SMILESCOc1cc(O[C@@H](C)CCCC(C)C)ccc1CCC(N)(CO)CC(C)C
InChIInChI=1S/C23H41NO3/c1-17(2)8-7-9-19(5)27-21-11-10-20(22(14-21)26-6)12-13-23(24,16-25)15-18(3)4/h10-11,14,17-19,25H,7-9,12-13,15-16,24H2,1-6H3/t19-,23?/m0/s1
InChIKeyZWYPNXPQTXJCEN-HSTJUUNISA-N
XLogP4.96
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]butan-1-ol
CID 67606714
(2S)-2-amino-2-[2-[2-methoxy-4-(9-methyldecoxy)phenyl]ethyl]-4-methylpentan-1-ol
CID 67606430
2-[3-amino-3-(hydroxymethyl)pentyl]-5-[(2S)-6-methylheptan-2-yl]oxyphenol
CID 67615962
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
(2S)-2-amino-2-[2-[4-(5,9-dimethyldecoxy)-2-methoxyphenyl]ethyl]-3-methylbutan-1-ol
CID 67608481
2-amino-2-[2-[4-(3,7-dimethyloctoxy)-3-methoxyphenyl]ethyl]-4-methylpentan-1-ol
CID 67608062
2-amino-2-[2-[4-(5,9-dimethyldecoxy)-3-methoxyphenyl]ethyl]-4-methylpentan-1-ol
CID 67606707
methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
CID 116851597
2-[(2,4-dimethoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111044199
2-amino-2-(cyclopropylmethyl)-4-[4-(2,6-dimethylheptoxy)-3-methoxyphenyl]butan-1-ol
CID 67606722

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol?
The IUPAC name of 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol (CID 67605906) is 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol is COc1cc(O[C@@H](C)CCCC(C)C)ccc1CCC(N)(CO)CC(C)C.
What is the InChIKey of 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol?
The InChIKey is ZWYPNXPQTXJCEN-HSTJUUNISA-N. The full InChI is InChI=1S/C23H41NO3/c1-17(2)8-7-9-19(5)27-21-11-10-20(22(14-21)26-6)12-13-23(24,16-25)15-18(3)4/h10-11,14,17-19,25H,7-9,12-13,15-16,24H2,1-6H3/t19-,23?/m0/s1.
What are the key properties of 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol?
2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol has a molecular weight of 379.59 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[2-methoxy-4-[(2S)-6-methylheptan-2-yl]oxyphenyl]ethyl]-4-methylpentan-1-ol is sourced from PubChem (CID 67605906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).