N-methyl-N-(2-phenylethyl)hexan-1-amine

C15H25N — CID 10242555

IUPACN-methyl-N-(2-phenylethyl)hexan-1-amine
SMILESCCCCCCN(C)CCc1ccccc1
InChIInChI=1S/C15H25N/c1-3-4-5-9-13-16(2)14-12-15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-14H2,1-2H3
InChIKeyIEXWDLLWZWJQIH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.74
Rot. Bonds8

About N-methyl-N-(2-phenylethyl)hexan-1-amine

N-methyl-N-(2-phenylethyl)hexan-1-amine (PubChem CID 10242555) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)hexan-1-amine
PubChem CID10242555
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-methyl-N-(2-phenylethyl)hexan-1-amine
SMILESCCCCCCN(C)CCc1ccccc1
InChIInChI=1S/C15H25N/c1-3-4-5-9-13-16(2)14-12-15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-14H2,1-2H3
InChIKeyIEXWDLLWZWJQIH-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
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-methyl-N-(2-phenylethyl)hexan-1-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)hexan-1-amine (CID 10242555) is N-methyl-N-(2-phenylethyl)hexan-1-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)hexan-1-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)hexan-1-amine is CCCCCCN(C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)hexan-1-amine?
The InChIKey is IEXWDLLWZWJQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-9-13-16(2)14-12-15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-14H2,1-2H3.
What are the key properties of N-methyl-N-(2-phenylethyl)hexan-1-amine?
N-methyl-N-(2-phenylethyl)hexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)hexan-1-amine is sourced from PubChem (CID 10242555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).