1,1-diphenylethanamine

C14H15N — CID 12761172

IUPAC1,1-diphenylethanamine
SMILESCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,15H2,1H3
InChIKeyXADXWWLTECVAAE-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.91
Rot. Bonds2

About 1,1-diphenylethanamine

1,1-diphenylethanamine (PubChem CID 12761172) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,1-diphenylethanamine.

Molecular Properties

Compound Name1,1-diphenylethanamine
PubChem CID12761172
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1,1-diphenylethanamine
SMILESCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,15H2,1H3
InChIKeyXADXWWLTECVAAE-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
(1R)-1-iodo-1-phenylethanamine
CID 68727841
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethanamine?
The IUPAC name of 1,1-diphenylethanamine (CID 12761172) is 1,1-diphenylethanamine.
What is the SMILES notation for 1,1-diphenylethanamine?
The canonical SMILES for 1,1-diphenylethanamine is CC(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylethanamine?
The InChIKey is XADXWWLTECVAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,15H2,1H3.
What are the key properties of 1,1-diphenylethanamine?
1,1-diphenylethanamine has a molecular weight of 197.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethanamine is sourced from PubChem (CID 12761172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).