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

C18H23N — CID 107875833

IUPAC2-methyl-N-(3-methyl-2-phenylbutyl)aniline
SMILESCc1ccccc1NCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H23N/c1-14(2)17(16-10-5-4-6-11-16)13-19-18-12-8-7-9-15(18)3/h4-12,14,17,19H,13H2,1-3H3
InChIKeyPUHFTWYPAYTLAG-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.85
Rot. Bonds5

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

2-methyl-N-(3-methyl-2-phenylbutyl)aniline (PubChem CID 107875833) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-phenylbutyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-phenylbutyl)aniline
PubChem CID107875833
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-methyl-N-(3-methyl-2-phenylbutyl)aniline
SMILESCc1ccccc1NCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H23N/c1-14(2)17(16-10-5-4-6-11-16)13-19-18-12-8-7-9-15(18)3/h4-12,14,17,19H,13H2,1-3H3
InChIKeyPUHFTWYPAYTLAG-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107876162
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875814
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
3-bromo-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876494
2-ethoxy-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107875958
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
N-(2-ethylbutyl)-2-methylaniline
CID 29290197
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
N-(3-bromobutyl)-2-methylaniline
CID 90819159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
The IUPAC name of 2-methyl-N-(3-methyl-2-phenylbutyl)aniline (CID 107875833) is 2-methyl-N-(3-methyl-2-phenylbutyl)aniline.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
The canonical SMILES for 2-methyl-N-(3-methyl-2-phenylbutyl)aniline is Cc1ccccc1NCC(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
The InChIKey is PUHFTWYPAYTLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)17(16-10-5-4-6-11-16)13-19-18-12-8-7-9-15(18)3/h4-12,14,17,19H,13H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methyl-2-phenylbutyl)aniline?
2-methyl-N-(3-methyl-2-phenylbutyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.85, 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-2-phenylbutyl)aniline is sourced from PubChem (CID 107875833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).