4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol

C16H26N2O2 — CID 84747554

IUPAC4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol
SMILESCOc1cc(CC(C)(N)N2CCCCCC2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-16(17,18-9-5-3-4-6-10-18)12-13-7-8-14(19)15(11-13)20-2/h7-8,11,19H,3-6,9-10,12,17H2,1-2H3
InChIKeySCVOMKNZFMGVOT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds4

About 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol

4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol (PubChem CID 84747554) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol
PubChem CID84747554
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol
SMILESCOc1cc(CC(C)(N)N2CCCCCC2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-16(17,18-9-5-3-4-6-10-18)12-13-7-8-14(19)15(11-13)20-2/h7-8,11,19H,3-6,9-10,12,17H2,1-2H3
InChIKeySCVOMKNZFMGVOT-UHFFFAOYSA-N
XLogP2.49
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-piperidin-1-ylpropyl)-2-methoxyphenol
CID 84748251
3-(4-hydroxy-3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 84752395
2-methoxy-4-(2-methyl-2-piperazin-1-ylpropyl)phenol
CID 116987601
1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
CID 84748274
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
CID 82023643
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
CID 84747598
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
(E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one
CID 11630663
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol (CID 84747554) is 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol is COc1cc(CC(C)(N)N2CCCCCC2)ccc1O.
What is the InChIKey of 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol?
The InChIKey is SCVOMKNZFMGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(17,18-9-5-3-4-6-10-18)12-13-7-8-14(19)15(11-13)20-2/h7-8,11,19H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol?
4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(azepan-1-yl)propyl]-2-methoxyphenol is sourced from PubChem (CID 84747554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).