(4-aminophenyl)-(azepan-4-yl)methanol

C13H20N2O — CID 84686059

IUPAC(4-aminophenyl)-(azepan-4-yl)methanol
SMILESNc1ccc(C(O)C2CCCNCC2)cc1
InChIInChI=1S/C13H20N2O/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h3-6,10,13,15-16H,1-2,7-9,14H2
InChIKeyOGEUSMOZHUQOKC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.69
Rot. Bonds2

About (4-aminophenyl)-(azepan-4-yl)methanol

(4-aminophenyl)-(azepan-4-yl)methanol (PubChem CID 84686059) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (4-aminophenyl)-(azepan-4-yl)methanol.

Molecular Properties

Compound Name(4-aminophenyl)-(azepan-4-yl)methanol
PubChem CID84686059
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(4-aminophenyl)-(azepan-4-yl)methanol
SMILESNc1ccc(C(O)C2CCCNCC2)cc1
InChIInChI=1S/C13H20N2O/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h3-6,10,13,15-16H,1-2,7-9,14H2
InChIKeyOGEUSMOZHUQOKC-UHFFFAOYSA-N
XLogP1.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
4-(1-piperidin-4-ylethyl)aniline
CID 115023731
4-[hydroxy(piperidin-4-yl)methyl]benzoic acid
CID 105496132
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
1-(4-aminophenyl)-2-cyclobutylethanol
CID 106695629

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(azepan-4-yl)methanol?
The IUPAC name of (4-aminophenyl)-(azepan-4-yl)methanol (CID 84686059) is (4-aminophenyl)-(azepan-4-yl)methanol.
What is the SMILES notation for (4-aminophenyl)-(azepan-4-yl)methanol?
The canonical SMILES for (4-aminophenyl)-(azepan-4-yl)methanol is Nc1ccc(C(O)C2CCCNCC2)cc1.
What is the InChIKey of (4-aminophenyl)-(azepan-4-yl)methanol?
The InChIKey is OGEUSMOZHUQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h3-6,10,13,15-16H,1-2,7-9,14H2.
What are the key properties of (4-aminophenyl)-(azepan-4-yl)methanol?
(4-aminophenyl)-(azepan-4-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(azepan-4-yl)methanol is sourced from PubChem (CID 84686059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).