2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H27BrN2 — CID 103190648

IUPAC2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC(CBr)c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C16H27BrN2/c1-5-19(14(2)12-18(3)4)13-16(11-17)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3
InChIKeyKCMRBXBUVAFYIK-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.44
Rot. Bonds8

About 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190648) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190648
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC(CBr)c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C16H27BrN2/c1-5-19(14(2)12-18(3)4)13-16(11-17)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3
InChIKeyKCMRBXBUVAFYIK-UHFFFAOYSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine 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

3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
CID 65015149
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
1-[(3-bromo-2-phenylpropyl)-ethylamino]-2-methylpropan-2-ol
CID 79389825
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
CID 65015028
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
N-(3-bromo-2-phenylpropyl)-2-fluoro-N-methylaniline
CID 65015357
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N-(3-bromo-2-phenylpropyl)-N-ethyl-3-methylaniline
CID 65016452
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
CID 65015369

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190648) is 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC(CBr)c1ccccc1)C(C)CN(C)C.
What is the InChIKey of 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is KCMRBXBUVAFYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-19(14(2)12-18(3)4)13-16(11-17)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3.
What are the key properties of 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 327.31 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).