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

C17H21N — CID 62047692

IUPACN-benzyl-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCCNCc1ccccc1
InChIInChI=1S/C17H21N/c1-15-8-5-6-11-17(15)12-7-13-18-14-16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3
InChIKeyRXRCTCWYPGKHIF-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.72
Rot. Bonds6

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

N-benzyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 62047692) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-benzyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(2-methylphenyl)propan-1-amine
PubChem CID62047692
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-benzyl-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCCNCc1ccccc1
InChIInChI=1S/C17H21N/c1-15-8-5-6-11-17(15)12-7-13-18-14-16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3
InChIKeyRXRCTCWYPGKHIF-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70442876
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N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
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N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
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1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
azane;N-benzylbutan-1-amine
CID 175388745
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
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N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N-[(2-methylphenyl)methyl]dodecan-1-amine
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CID 115202150

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-benzyl-3-(2-methylphenyl)propan-1-amine (CID 62047692) is N-benzyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-benzyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-benzyl-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CCCNCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is RXRCTCWYPGKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-15-8-5-6-11-17(15)12-7-13-18-14-16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3.
What are the key properties of N-benzyl-3-(2-methylphenyl)propan-1-amine?
N-benzyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 62047692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).