N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine

C19H25N — CID 116545389

IUPACN-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cccc(CC(C)C)c1
InChIInChI=1S/C19H25N/c1-4-20-14-18-9-5-6-11-19(18)17-10-7-8-16(13-17)12-15(2)3/h5-11,13,15,20H,4,12,14H2,1-3H3
InChIKeyPYAFQDQFKBHLLO-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.66
Rot. Bonds6

About N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine

N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 116545389) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
PubChem CID116545389
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cccc(CC(C)C)c1
InChIInChI=1S/C19H25N/c1-4-20-14-18-9-5-6-11-19(18)17-10-7-8-16(13-17)12-15(2)3/h5-11,13,15,20H,4,12,14H2,1-3H3
InChIKeyPYAFQDQFKBHLLO-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine (CID 116545389) is N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine is CCNCc1ccccc1-c1cccc(CC(C)C)c1.
What is the InChIKey of N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is PYAFQDQFKBHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-20-14-18-9-5-6-11-19(18)17-10-7-8-16(13-17)12-15(2)3/h5-11,13,15,20H,4,12,14H2,1-3H3.
What are the key properties of N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 116545389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).