N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine

C19H25N — CID 63424634

IUPACN-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(CCC)cc1
InChIInChI=1S/C19H25N/c1-3-7-16-10-12-17(13-11-16)19-9-6-5-8-18(19)15-20-14-4-2/h5-6,8-13,20H,3-4,7,14-15H2,1-2H3
InChIKeyKDZRSXUNFQLXFK-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.81
Rot. Bonds7

About N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine

N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 63424634) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
PubChem CID63424634
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(CCC)cc1
InChIInChI=1S/C19H25N/c1-3-7-16-10-12-17(13-11-16)19-9-6-5-8-18(19)15-20-14-4-2/h5-6,8-13,20H,3-4,7,14-15H2,1-2H3
InChIKeyKDZRSXUNFQLXFK-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.81
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-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
CID 63424719
N-[[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]methyl]propan-1-amine
CID 63425013
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
CID 63021469
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
CID 81230157
N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 62796087
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
1-(2-ethylphenyl)-2-methyl-3-(4-propylphenyl)benzene
CID 156827418
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine (CID 63424634) is N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1ccc(CCC)cc1.
What is the InChIKey of N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is KDZRSXUNFQLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-7-16-10-12-17(13-11-16)19-9-6-5-8-18(19)15-20-14-4-2/h5-6,8-13,20H,3-4,7,14-15H2,1-2H3.
What are the key properties of N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine?
N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63424634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).