3-(2-benzyl-4-methylphenyl)propan-1-amine

C17H21N — CID 141412375

IUPAC3-(2-benzyl-4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCCN)c(Cc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14-9-10-16(8-5-11-18)17(12-14)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3
InChIKeyRGPDVBQJEXUEDC-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.48
Rot. Bonds5

About 3-(2-benzyl-4-methylphenyl)propan-1-amine

3-(2-benzyl-4-methylphenyl)propan-1-amine (PubChem CID 141412375) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(2-benzyl-4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-benzyl-4-methylphenyl)propan-1-amine
PubChem CID141412375
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-(2-benzyl-4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCCN)c(Cc2ccccc2)c1
InChIInChI=1S/C17H21N/c1-14-9-10-16(8-5-11-18)17(12-14)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3
InChIKeyRGPDVBQJEXUEDC-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
benzene;3-phenylpropan-1-amine
CID 174865683
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
3-phenylpropan-1-amine;propane
CID 70273467
butane;2-(cyclopentylmethyl)-1-ethyl-4-methylbenzene;ethane;3-phenylpropan-1-amine;toluene
CID 143534247
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
3-(2-ethylsulfanyl-5-methylphenyl)propan-1-amine
CID 82264952
3-(4-methyl-2-methylsulfonylphenyl)propan-1-amine
CID 117327500

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-benzyl-4-methylphenyl)propan-1-amine (CID 141412375) is 3-(2-benzyl-4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-benzyl-4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-benzyl-4-methylphenyl)propan-1-amine is Cc1ccc(CCCN)c(Cc2ccccc2)c1.
What is the InChIKey of 3-(2-benzyl-4-methylphenyl)propan-1-amine?
The InChIKey is RGPDVBQJEXUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-9-10-16(8-5-11-18)17(12-14)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3.
What are the key properties of 3-(2-benzyl-4-methylphenyl)propan-1-amine?
3-(2-benzyl-4-methylphenyl)propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-4-methylphenyl)propan-1-amine is sourced from PubChem (CID 141412375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).