N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine

C19H25N — CID 79017859

IUPACN-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
SMILESCC(C)Cc1ccc(CNCCc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-16(2)14-18-8-10-19(11-9-18)15-20-13-12-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyWRIKHPBZSGJMJR-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.22
Rot. Bonds7

About N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine

N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine (PubChem CID 79017859) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
PubChem CID79017859
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
SMILESCC(C)Cc1ccc(CNCCc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-16(2)14-18-8-10-19(11-9-18)15-20-13-12-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyWRIKHPBZSGJMJR-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine (CID 79017859) is N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine is CC(C)Cc1ccc(CNCCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?
The InChIKey is WRIKHPBZSGJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-16(2)14-18-8-10-19(11-9-18)15-20-13-12-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3.
What are the key properties of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 79017859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).