2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine

C15H25N — CID 116545559

IUPAC2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1cccc(CCNCC(C)C)c1
InChIInChI=1S/C15H25N/c1-4-6-14-7-5-8-15(11-14)9-10-16-12-13(2)3/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3
InChIKeyCHTQVARCHGGDGE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.43
Rot. Bonds7

About 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine

2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine (PubChem CID 116545559) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
PubChem CID116545559
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1cccc(CCNCC(C)C)c1
InChIInChI=1S/C15H25N/c1-4-6-14-7-5-8-15(11-14)9-10-16-12-13(2)3/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3
InChIKeyCHTQVARCHGGDGE-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.43
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

N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
4-[3-(difluoromethyl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 113329285
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546427
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 65104535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine (CID 116545559) is 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine is CCCc1cccc(CCNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine?
The InChIKey is CHTQVARCHGGDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-14-7-5-8-15(11-14)9-10-16-12-13(2)3/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine?
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116545559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).