N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine

C16H21BrN4 — CID 107053062

IUPACN-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
SMILESCn1cc(CC(CNC2CC2)Cc2ccccc2Br)nn1
InChIInChI=1S/C16H21BrN4/c1-21-11-15(19-20-21)9-12(10-18-14-6-7-14)8-13-4-2-3-5-16(13)17/h2-5,11-12,14,18H,6-10H2,1H3
InChIKeyUJQIKNVLRAYVHW-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine

N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine (PubChem CID 107053062) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
PubChem CID107053062
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC NameN-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
SMILESCn1cc(CC(CNC2CC2)Cc2ccccc2Br)nn1
InChIInChI=1S/C16H21BrN4/c1-21-11-15(19-20-21)9-12(10-18-14-6-7-14)8-13-4-2-3-5-16(13)17/h2-5,11-12,14,18H,6-10H2,1H3
InChIKeyUJQIKNVLRAYVHW-UHFFFAOYSA-N
XLogP2.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine 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

N-[2-[(3-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053018
N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 62514412
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052828
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744
2-[(3-bromophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053010
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 62516151

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine (CID 107053062) is N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine is Cn1cc(CC(CNC2CC2)Cc2ccccc2Br)nn1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
The InChIKey is UJQIKNVLRAYVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-21-11-15(19-20-21)9-12(10-18-14-6-7-14)8-13-4-2-3-5-16(13)17/h2-5,11-12,14,18H,6-10H2,1H3.
What are the key properties of N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine has a molecular weight of 349.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 107053062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).