N-benzhydrylethanamine;ethane

C17H23N — CID 142974710

IUPACN-benzhydrylethanamine;ethane
SMILESCC.CCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N.C2H6/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2/h3-12,15-16H,2H2,1H3;1-2H3
InChIKeyGPYMSLFLDYJXHX-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.41
Rot. Bonds4

About N-benzhydrylethanamine;ethane

N-benzhydrylethanamine;ethane (PubChem CID 142974710) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-benzhydrylethanamine;ethane.

Molecular Properties

Compound NameN-benzhydrylethanamine;ethane
PubChem CID142974710
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-benzhydrylethanamine;ethane
SMILESCC.CCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N.C2H6/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2/h3-12,15-16H,2H2,1H3;1-2H3
InChIKeyGPYMSLFLDYJXHX-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylethanamine;ethane?
The IUPAC name of N-benzhydrylethanamine;ethane (CID 142974710) is N-benzhydrylethanamine;ethane.
What is the SMILES notation for N-benzhydrylethanamine;ethane?
The canonical SMILES for N-benzhydrylethanamine;ethane is CC.CCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylethanamine;ethane?
The InChIKey is GPYMSLFLDYJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C2H6/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2/h3-12,15-16H,2H2,1H3;1-2H3.
What are the key properties of N-benzhydrylethanamine;ethane?
N-benzhydrylethanamine;ethane has a molecular weight of 241.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylethanamine;ethane is sourced from PubChem (CID 142974710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).