2-methyl-N-(3-methyl-1-phenylbutyl)aniline

C18H23N — CID 43108740

IUPAC2-methyl-N-(3-methyl-1-phenylbutyl)aniline
SMILESCc1ccccc1NC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H23N/c1-14(2)13-18(16-10-5-4-6-11-16)19-17-12-8-7-9-15(17)3/h4-12,14,18-19H,13H2,1-3H3
InChIKeyRFWUDQNGRYXFCK-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.19
Rot. Bonds5

About 2-methyl-N-(3-methyl-1-phenylbutyl)aniline

2-methyl-N-(3-methyl-1-phenylbutyl)aniline (PubChem CID 43108740) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-1-phenylbutyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-1-phenylbutyl)aniline
PubChem CID43108740
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-methyl-N-(3-methyl-1-phenylbutyl)aniline
SMILESCc1ccccc1NC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H23N/c1-14(2)13-18(16-10-5-4-6-11-16)19-17-12-8-7-9-15(17)3/h4-12,14,18-19H,13H2,1-3H3
InChIKeyRFWUDQNGRYXFCK-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
4-iodo-2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43717026
N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
CID 43111805
2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43095350
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
2,3,4-trifluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43105914
(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
CID 134874635
2,5-difluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43108541
N-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-1-phenylbutyl)aniline?
The IUPAC name of 2-methyl-N-(3-methyl-1-phenylbutyl)aniline (CID 43108740) is 2-methyl-N-(3-methyl-1-phenylbutyl)aniline.
What is the SMILES notation for 2-methyl-N-(3-methyl-1-phenylbutyl)aniline?
The canonical SMILES for 2-methyl-N-(3-methyl-1-phenylbutyl)aniline is Cc1ccccc1NC(CC(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-methyl-1-phenylbutyl)aniline?
The InChIKey is RFWUDQNGRYXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)13-18(16-10-5-4-6-11-16)19-17-12-8-7-9-15(17)3/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methyl-1-phenylbutyl)aniline?
2-methyl-N-(3-methyl-1-phenylbutyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-1-phenylbutyl)aniline is sourced from PubChem (CID 43108740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).