2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine

C19H24BrN — CID 63523508

IUPAC2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)Cc1cccc(C)c1
InChIInChI=1S/C19H24BrN/c1-3-21-14-18(12-16-7-9-19(20)10-8-16)13-17-6-4-5-15(2)11-17/h4-11,18,21H,3,12-14H2,1-2H3
InChIKeyVULSJICLBZZJQG-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.77
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine

2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 63523508) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
PubChem CID63523508
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)Cc1cccc(C)c1
InChIInChI=1S/C19H24BrN/c1-3-21-14-18(12-16-7-9-19(20)10-8-16)13-17-6-4-5-15(2)11-17/h4-11,18,21H,3,12-14H2,1-2H3
InChIKeyVULSJICLBZZJQG-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine (CID 63523508) is 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(Br)cc1)Cc1cccc(C)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is VULSJICLBZZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-3-21-14-18(12-16-7-9-19(20)10-8-16)13-17-6-4-5-15(2)11-17/h4-11,18,21H,3,12-14H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine?
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 63523508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).