3-methyl-4-(1-phenylhexylamino)butan-1-ol

C17H29NO — CID 66091324

IUPAC3-methyl-4-(1-phenylhexylamino)butan-1-ol
SMILESCCCCCC(NCC(C)CCO)c1ccccc1
InChIInChI=1S/C17H29NO/c1-3-4-6-11-17(16-9-7-5-8-10-16)18-14-15(2)12-13-19/h5,7-10,15,17-19H,3-4,6,11-14H2,1-2H3
InChIKeyIGRCICUTJKHLNI-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.92
Rot. Bonds10

About 3-methyl-4-(1-phenylhexylamino)butan-1-ol

3-methyl-4-(1-phenylhexylamino)butan-1-ol (PubChem CID 66091324) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-methyl-4-(1-phenylhexylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(1-phenylhexylamino)butan-1-ol
PubChem CID66091324
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-methyl-4-(1-phenylhexylamino)butan-1-ol
SMILESCCCCCC(NCC(C)CCO)c1ccccc1
InChIInChI=1S/C17H29NO/c1-3-4-6-11-17(16-9-7-5-8-10-16)18-14-15(2)12-13-19/h5,7-10,15,17-19H,3-4,6,11-14H2,1-2H3
InChIKeyIGRCICUTJKHLNI-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 66176548
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
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4-(1-phenylhexylamino)butan-2-ol
CID 64910713
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(2-methoxypropyl)-1-phenylpentan-1-amine
CID 102696616
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
CID 63463886
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-phenylhexylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(1-phenylhexylamino)butan-1-ol (CID 66091324) is 3-methyl-4-(1-phenylhexylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(1-phenylhexylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(1-phenylhexylamino)butan-1-ol is CCCCCC(NCC(C)CCO)c1ccccc1.
What is the InChIKey of 3-methyl-4-(1-phenylhexylamino)butan-1-ol?
The InChIKey is IGRCICUTJKHLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-4-6-11-17(16-9-7-5-8-10-16)18-14-15(2)12-13-19/h5,7-10,15,17-19H,3-4,6,11-14H2,1-2H3.
What are the key properties of 3-methyl-4-(1-phenylhexylamino)butan-1-ol?
3-methyl-4-(1-phenylhexylamino)butan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-phenylhexylamino)butan-1-ol is sourced from PubChem (CID 66091324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).