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

C19H25N — CID 116545296

IUPACN-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(CCC)c2)cc1
InChIInChI=1S/C19H25N/c1-3-6-16-7-5-8-19(14-16)18-11-9-17(10-12-18)15-20-13-4-2/h5,7-12,14,20H,3-4,6,13,15H2,1-2H3
InChIKeyYMQFDPPUIAOEDL-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.81
Rot. Bonds7

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

N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 116545296) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
PubChem CID116545296
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(CCC)c2)cc1
InChIInChI=1S/C19H25N/c1-3-6-16-7-5-8-19(14-16)18-11-9-17(10-12-18)15-20-13-4-2/h5,7-12,14,20H,3-4,6,13,15H2,1-2H3
InChIKeyYMQFDPPUIAOEDL-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-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
1-phenyl-3-propylbenzene
CID 4110465
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
CID 116545338
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
CID 63428115
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine (CID 116545296) is N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(CCC)c2)cc1.
What is the InChIKey of N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is YMQFDPPUIAOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-6-16-7-5-8-19(14-16)18-11-9-17(10-12-18)15-20-13-4-2/h5,7-12,14,20H,3-4,6,13,15H2,1-2H3.
What are the key properties of N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine?
N-[[4-(3-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-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 116545296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).