2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine

C18H30N2O — CID 84747598

IUPAC2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
SMILESCC(C)Oc1cccc(CC(C)(N)N2CCCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-15(2)21-17-10-8-9-16(13-17)14-18(3,19)20-11-6-4-5-7-12-20/h8-10,13,15H,4-7,11-12,14,19H2,1-3H3
InChIKeyBPFKDMFEUJFRHP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds5

About 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine

2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine (PubChem CID 84747598) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
PubChem CID84747598
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine
SMILESCC(C)Oc1cccc(CC(C)(N)N2CCCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-15(2)21-17-10-8-9-16(13-17)14-18(3,19)20-11-6-4-5-7-12-20/h8-10,13,15H,4-7,11-12,14,19H2,1-3H3
InChIKeyBPFKDMFEUJFRHP-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
2,2-dimethyl-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 117345113
4-(2-amino-2-piperidin-1-ylpropyl)-2-methoxyphenol
CID 84748251
2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
1-(2-bromoethyl)-3-propan-2-yloxybenzene
CID 64867927
2-[3-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906549
3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79057103
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine (CID 84747598) is 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine is CC(C)Oc1cccc(CC(C)(N)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine?
The InChIKey is BPFKDMFEUJFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)21-17-10-8-9-16(13-17)14-18(3,19)20-11-6-4-5-7-12-20/h8-10,13,15H,4-7,11-12,14,19H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine?
2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(3-propan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 84747598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).