4-(1-phenylhexylamino)butan-2-ol

C16H27NO — CID 64910713

IUPAC4-(1-phenylhexylamino)butan-2-ol
SMILESCCCCCC(NCCC(C)O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-3-4-6-11-16(17-13-12-14(2)18)15-9-7-5-8-10-15/h5,7-10,14,16-18H,3-4,6,11-13H2,1-2H3
InChIKeyOKWUYTFXOLBKSJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds9

About 4-(1-phenylhexylamino)butan-2-ol

4-(1-phenylhexylamino)butan-2-ol (PubChem CID 64910713) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(1-phenylhexylamino)butan-2-ol.

Molecular Properties

Compound Name4-(1-phenylhexylamino)butan-2-ol
PubChem CID64910713
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(1-phenylhexylamino)butan-2-ol
SMILESCCCCCC(NCCC(C)O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-3-4-6-11-16(17-13-12-14(2)18)15-9-7-5-8-10-15/h5,7-10,14,16-18H,3-4,6,11-13H2,1-2H3
InChIKeyOKWUYTFXOLBKSJ-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
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

N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
CID 115709150
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
3-(1-phenylhexylamino)propane-1,2-diol
CID 66176548
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylhexylamino)butan-2-ol?
The IUPAC name of 4-(1-phenylhexylamino)butan-2-ol (CID 64910713) is 4-(1-phenylhexylamino)butan-2-ol.
What is the SMILES notation for 4-(1-phenylhexylamino)butan-2-ol?
The canonical SMILES for 4-(1-phenylhexylamino)butan-2-ol is CCCCCC(NCCC(C)O)c1ccccc1.
What is the InChIKey of 4-(1-phenylhexylamino)butan-2-ol?
The InChIKey is OKWUYTFXOLBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-6-11-16(17-13-12-14(2)18)15-9-7-5-8-10-15/h5,7-10,14,16-18H,3-4,6,11-13H2,1-2H3.
What are the key properties of 4-(1-phenylhexylamino)butan-2-ol?
4-(1-phenylhexylamino)butan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylhexylamino)butan-2-ol is sourced from PubChem (CID 64910713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).