N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine

C17H21N — CID 70892466

IUPACN-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-2-18-14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-7,10-13,18H,2,8-9,14H2,1H3
InChIKeyOCSINOQZIFUXHP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.58
Rot. Bonds6

About N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine

N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine (PubChem CID 70892466) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
PubChem CID70892466
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-2-18-14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-7,10-13,18H,2,8-9,14H2,1H3
InChIKeyOCSINOQZIFUXHP-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158198357
N-benzylethanamine;trimethylsilane
CID 173401135
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
benzaldehyde;N-benzylethanamine
CID 22227487
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
N-benzylethanamine;bromoethane;phenylmethanamine
CID 158620434
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
N-[2-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine (CID 70892466) is N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine is CCNCc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine?
The InChIKey is OCSINOQZIFUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-18-14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-7,10-13,18H,2,8-9,14H2,1H3.
What are the key properties of N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine?
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 70892466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).