N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine

C20H27N — CID 116543927

IUPACN-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1cccc(CCC)c1
InChIInChI=1S/C20H27N/c1-4-7-17-8-6-9-19(15-17)20(21-14-5-2)18-12-10-16(3)11-13-18/h6,8-13,15,20-21H,4-5,7,14H2,1-3H3
InChIKeyCHLHZISOGXJQNH-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.04
Rot. Bonds7

About N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine

N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 116543927) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
PubChem CID116543927
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)c1cccc(CCC)c1
InChIInChI=1S/C20H27N/c1-4-7-17-8-6-9-19(15-17)20(21-14-5-2)18-12-10-16(3)11-13-18/h6,8-13,15,20-21H,4-5,7,14H2,1-3H3
InChIKeyCHLHZISOGXJQNH-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[(3-methyl-2-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544152
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116545019
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105050309
N-[(5-bromothiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544380
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
[(3,4-dimethylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340471
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine (CID 116543927) is N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)c1cccc(CCC)c1.
What is the InChIKey of N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is CHLHZISOGXJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-7-17-8-6-9-19(15-17)20(21-14-5-2)18-12-10-16(3)11-13-18/h6,8-13,15,20-21H,4-5,7,14H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine?
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 116543927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).