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

C13H21N — CID 60657533

IUPACN-[(4-propylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(CCC)cc1
InChIInChI=1S/C13H21N/c1-3-5-12-6-8-13(9-7-12)11-14-10-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyPCVBXNDJUFCFNR-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds6

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

N-[(4-propylphenyl)methyl]propan-1-amine (PubChem CID 60657533) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(4-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propylphenyl)methyl]propan-1-amine
PubChem CID60657533
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(4-propylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(CCC)cc1
InChIInChI=1S/C13H21N/c1-3-5-12-6-8-13(9-7-12)11-14-10-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyPCVBXNDJUFCFNR-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
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

2-[(4-propylphenyl)methylamino]ethanethiol
CID 115223914
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
3-[4-(propylaminomethyl)phenyl]propanoic acid
CID 59131307
3-methyl-1-N-[(4-propylphenyl)methyl]butane-1,3-diamine
CID 115200583
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-propylphenyl)methyl]propan-1-amine (CID 60657533) is N-[(4-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-propylphenyl)methyl]propan-1-amine is CCCNCc1ccc(CCC)cc1.
What is the InChIKey of N-[(4-propylphenyl)methyl]propan-1-amine?
The InChIKey is PCVBXNDJUFCFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-5-12-6-8-13(9-7-12)11-14-10-4-2/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of N-[(4-propylphenyl)methyl]propan-1-amine?
N-[(4-propylphenyl)methyl]propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 60657533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).