N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline

C24H27N — CID 143175520

IUPACN-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline
SMILESC[C@@H](CCc1ccccc1NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27N/c1-20(18-21-10-4-2-5-11-21)16-17-23-14-8-9-15-24(23)25-19-22-12-6-3-7-13-22/h2-15,20,25H,16-19H2,1H3/t20-/m0/s1
InChIKeyXEWPEHIKCJXIJX-FQEVSTJZSA-N
MW329.49 g/mol
LogP6.11
Rot. Bonds8

About N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline

N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline (PubChem CID 143175520) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline
PubChem CID143175520
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC NameN-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline
SMILESC[C@@H](CCc1ccccc1NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27N/c1-20(18-21-10-4-2-5-11-21)16-17-23-14-8-9-15-24(23)25-19-22-12-6-3-7-13-22/h2-15,20,25H,16-19H2,1H3/t20-/m0/s1
InChIKeyXEWPEHIKCJXIJX-FQEVSTJZSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
N-benzyl-2-(chloromethyl)aniline
CID 15078992
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
N-tert-butyl-3-methyl-4-phenylbutan-1-amine
CID 81018858
4-[[2-[2-(dimethylamino)ethyl]anilino]methyl]benzoic acid
CID 122033254
1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
CID 157431999
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
2-benzyl-N-(2-methylpentyl)aniline
CID 43093994
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
[2-(benzylamino)phenyl]methyl acetate
CID 174839989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline?
The IUPAC name of N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline (CID 143175520) is N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline.
What is the SMILES notation for N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline?
The canonical SMILES for N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline is C[C@@H](CCc1ccccc1NCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline?
The InChIKey is XEWPEHIKCJXIJX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N/c1-20(18-21-10-4-2-5-11-21)16-17-23-14-8-9-15-24(23)25-19-22-12-6-3-7-13-22/h2-15,20,25H,16-19H2,1H3/t20-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline?
N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline has a molecular weight of 329.49 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline is sourced from PubChem (CID 143175520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).