(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

C15H20BrN3 — CID 81359377

IUPAC(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CN[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-3-8-19-11-17-9-15(19)10-18-12(2)13-4-6-14(16)7-5-13/h4-7,9,11-12,18H,3,8,10H2,1-2H3/t12-/m0/s1
InChIKeyALAVVQNNEGDGMN-LBPRGKRZSA-N
MW322.25 g/mol
LogP3.91
Rot. Bonds6

About (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 81359377) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID81359377
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CN[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-3-8-19-11-17-9-15(19)10-18-12(2)13-4-6-14(16)7-5-13/h4-7,9,11-12,18H,3,8,10H2,1-2H3/t12-/m0/s1
InChIKeyALAVVQNNEGDGMN-LBPRGKRZSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine 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-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131133
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 81359377) is (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CN[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is ALAVVQNNEGDGMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-8-19-11-17-9-15(19)10-18-12(2)13-4-6-14(16)7-5-13/h4-7,9,11-12,18H,3,8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81359377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).