1-(5-methylhexylamino)-4-phenylbutan-2-ol

C17H29NO — CID 90708776

IUPAC1-(5-methylhexylamino)-4-phenylbutan-2-ol
SMILESCC(C)CCCCNCC(O)CCc1ccccc1
InChIInChI=1S/C17H29NO/c1-15(2)8-6-7-13-18-14-17(19)12-11-16-9-4-3-5-10-16/h3-5,9-10,15,17-19H,6-8,11-14H2,1-2H3
InChIKeyKRYLOHRJHIMRCW-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.40
Rot. Bonds10

About 1-(5-methylhexylamino)-4-phenylbutan-2-ol

1-(5-methylhexylamino)-4-phenylbutan-2-ol (PubChem CID 90708776) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(5-methylhexylamino)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(5-methylhexylamino)-4-phenylbutan-2-ol
PubChem CID90708776
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(5-methylhexylamino)-4-phenylbutan-2-ol
SMILESCC(C)CCCCNCC(O)CCc1ccccc1
InChIInChI=1S/C17H29NO/c1-15(2)8-6-7-13-18-14-17(19)12-11-16-9-4-3-5-10-16/h3-5,9-10,15,17-19H,6-8,11-14H2,1-2H3
InChIKeyKRYLOHRJHIMRCW-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

1-(3-phenylpropylamino)butan-2-ol
CID 60905255
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1,1-difluoro-3-(4-phenylbutylamino)propan-2-ol
CID 114093415
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
CID 103239817
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexylamino)-4-phenylbutan-2-ol?
The IUPAC name of 1-(5-methylhexylamino)-4-phenylbutan-2-ol (CID 90708776) is 1-(5-methylhexylamino)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(5-methylhexylamino)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(5-methylhexylamino)-4-phenylbutan-2-ol is CC(C)CCCCNCC(O)CCc1ccccc1.
What is the InChIKey of 1-(5-methylhexylamino)-4-phenylbutan-2-ol?
The InChIKey is KRYLOHRJHIMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-15(2)8-6-7-13-18-14-17(19)12-11-16-9-4-3-5-10-16/h3-5,9-10,15,17-19H,6-8,11-14H2,1-2H3.
What are the key properties of 1-(5-methylhexylamino)-4-phenylbutan-2-ol?
1-(5-methylhexylamino)-4-phenylbutan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexylamino)-4-phenylbutan-2-ol is sourced from PubChem (CID 90708776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).