1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine

C17H27BrN2 — CID 65283859

IUPAC1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Br)c1)N1CCCC(C)(C)CC1
InChIInChI=1S/C17H27BrN2/c1-13(19)16(14-6-4-7-15(18)12-14)20-10-5-8-17(2,3)9-11-20/h4,6-7,12-13,16H,5,8-11,19H2,1-3H3
InChIKeyMVZFKJKFMODXKU-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds3

About 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine

1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine (PubChem CID 65283859) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
PubChem CID65283859
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Br)c1)N1CCCC(C)(C)CC1
InChIInChI=1S/C17H27BrN2/c1-13(19)16(14-6-4-7-15(18)12-14)20-10-5-8-17(2,3)9-11-20/h4,6-7,12-13,16H,5,8-11,19H2,1-3H3
InChIKeyMVZFKJKFMODXKU-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine
CID 65283430
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
CID 62935813
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine (CID 65283859) is 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine is CC(N)C(c1cccc(Br)c1)N1CCCC(C)(C)CC1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine?
The InChIKey is MVZFKJKFMODXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13(19)16(14-6-4-7-15(18)12-14)20-10-5-8-17(2,3)9-11-20/h4,6-7,12-13,16H,5,8-11,19H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine?
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine is sourced from PubChem (CID 65283859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).