4-(aminomethyl)-1-phenylhexan-3-ol

C13H21NO — CID 65187755

IUPAC4-(aminomethyl)-1-phenylhexan-3-ol
SMILESCCC(CN)C(O)CCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-12(10-14)13(15)9-8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10,14H2,1H3
InChIKeyZTXRHZRHDKNMKN-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds6

About 4-(aminomethyl)-1-phenylhexan-3-ol

4-(aminomethyl)-1-phenylhexan-3-ol (PubChem CID 65187755) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-phenylhexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-phenylhexan-3-ol
PubChem CID65187755
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(aminomethyl)-1-phenylhexan-3-ol
SMILESCCC(CN)C(O)CCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-12(10-14)13(15)9-8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10,14H2,1H3
InChIKeyZTXRHZRHDKNMKN-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
3-(aminomethyl)heptan-4-ol
CID 54499673
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
(3R,4S)-4-nitro-1-phenylhexan-3-ol
CID 101032365
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
1-amino-2-(2-fluorophenyl)-5-phenylpentan-3-ol
CID 65185569
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine
CID 57365220
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-phenylhexan-3-ol?
The IUPAC name of 4-(aminomethyl)-1-phenylhexan-3-ol (CID 65187755) is 4-(aminomethyl)-1-phenylhexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1-phenylhexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-1-phenylhexan-3-ol is CCC(CN)C(O)CCc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-1-phenylhexan-3-ol?
The InChIKey is ZTXRHZRHDKNMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-12(10-14)13(15)9-8-11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-phenylhexan-3-ol?
4-(aminomethyl)-1-phenylhexan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-phenylhexan-3-ol is sourced from PubChem (CID 65187755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).