N-benzhydryl-N-propan-2-ylaniline

C22H23N — CID 174429757

IUPACN-benzhydryl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-18(2)23(21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,1-2H3
InChIKeyCYPRGOAFNMBXHT-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.69
Rot. Bonds5

About N-benzhydryl-N-propan-2-ylaniline

N-benzhydryl-N-propan-2-ylaniline (PubChem CID 174429757) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is N-benzhydryl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-benzhydryl-N-propan-2-ylaniline
PubChem CID174429757
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC NameN-benzhydryl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-18(2)23(21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,1-2H3
InChIKeyCYPRGOAFNMBXHT-UHFFFAOYSA-N
XLogP5.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-di(propan-2-yl)aniline;ethanamine
CID 175553373
N-(1-chloroethyl)-N-(1-phenylethyl)aniline
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(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline
CID 50900534
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
N-benzhydryl-3-methyl-N-(3-methylphenyl)aniline
CID 154167972
CID 102355634
CID 102355634
CID 100998322
CID 100998322
cumene
CID 161227923
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-propan-2-ylaniline?
The IUPAC name of N-benzhydryl-N-propan-2-ylaniline (CID 174429757) is N-benzhydryl-N-propan-2-ylaniline.
What is the SMILES notation for N-benzhydryl-N-propan-2-ylaniline?
The canonical SMILES for N-benzhydryl-N-propan-2-ylaniline is CC(C)N(c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-propan-2-ylaniline?
The InChIKey is CYPRGOAFNMBXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-18(2)23(21-16-10-5-11-17-21)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,1-2H3.
What are the key properties of N-benzhydryl-N-propan-2-ylaniline?
N-benzhydryl-N-propan-2-ylaniline has a molecular weight of 301.43 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-propan-2-ylaniline is sourced from PubChem (CID 174429757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).