1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine

C16H19BrN2 — CID 103522112

IUPAC1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCCc1ccccn1
InChIInChI=1S/C16H19BrN2/c1-13(12-14-5-7-15(17)8-6-14)18-11-9-16-4-2-3-10-19-16/h2-8,10,13,18H,9,11-12H2,1H3
InChIKeyMZSHCQJWQKEZQN-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine

1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine (PubChem CID 103522112) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
PubChem CID103522112
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCCc1ccccn1
InChIInChI=1S/C16H19BrN2/c1-13(12-14-5-7-15(17)8-6-14)18-11-9-16-4-2-3-10-19-16/h2-8,10,13,18H,9,11-12H2,1H3
InChIKeyMZSHCQJWQKEZQN-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-ethyl-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-2-amine
CID 115495045
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111292813
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine (CID 103522112) is 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine is CC(Cc1ccc(Br)cc1)NCCc1ccccn1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine?
The InChIKey is MZSHCQJWQKEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-13(12-14-5-7-15(17)8-6-14)18-11-9-16-4-2-3-10-19-16/h2-8,10,13,18H,9,11-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine?
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine has a molecular weight of 319.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine is sourced from PubChem (CID 103522112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).