N-(2-phenylethyl)propan-1-amine

C11H17N — CID 3142088

IUPACN-(2-phenylethyl)propan-1-amine
SMILESCCCNCCc1ccccc1
InChIInChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyIIIRPZWDICEMGU-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.23
Rot. Bonds5

About N-(2-phenylethyl)propan-1-amine

N-(2-phenylethyl)propan-1-amine (PubChem CID 3142088) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)propan-1-amine
PubChem CID3142088
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(2-phenylethyl)propan-1-amine
SMILESCCCNCCc1ccccc1
InChIInChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyIIIRPZWDICEMGU-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)propan-1-amine?
The IUPAC name of N-(2-phenylethyl)propan-1-amine (CID 3142088) is N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for N-(2-phenylethyl)propan-1-amine is CCCNCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)propan-1-amine?
The InChIKey is IIIRPZWDICEMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of N-(2-phenylethyl)propan-1-amine?
N-(2-phenylethyl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 3142088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).