N-methyl-4-[4-(2-methylpropyl)phenyl]aniline

C17H21N — CID 116962445

IUPACN-methyl-4-[4-(2-methylpropyl)phenyl]aniline
SMILESCNc1ccc(-c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C17H21N/c1-13(2)12-14-4-6-15(7-5-14)16-8-10-17(18-3)11-9-16/h4-11,13,18H,12H2,1-3H3
InChIKeyRGEKMRLAHYEPKP-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.59
Rot. Bonds4

About N-methyl-4-[4-(2-methylpropyl)phenyl]aniline

N-methyl-4-[4-(2-methylpropyl)phenyl]aniline (PubChem CID 116962445) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-4-[4-(2-methylpropyl)phenyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-(2-methylpropyl)phenyl]aniline
PubChem CID116962445
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-4-[4-(2-methylpropyl)phenyl]aniline
SMILESCNc1ccc(-c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C17H21N/c1-13(2)12-14-4-6-15(7-5-14)16-8-10-17(18-3)11-9-16/h4-11,13,18H,12H2,1-3H3
InChIKeyRGEKMRLAHYEPKP-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275
1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652256
1-[3-chloro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652258
4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 163443787
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(2-methylpropyl)phenyl]aniline?
The IUPAC name of N-methyl-4-[4-(2-methylpropyl)phenyl]aniline (CID 116962445) is N-methyl-4-[4-(2-methylpropyl)phenyl]aniline.
What is the SMILES notation for N-methyl-4-[4-(2-methylpropyl)phenyl]aniline?
The canonical SMILES for N-methyl-4-[4-(2-methylpropyl)phenyl]aniline is CNc1ccc(-c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-(2-methylpropyl)phenyl]aniline?
The InChIKey is RGEKMRLAHYEPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13(2)12-14-4-6-15(7-5-14)16-8-10-17(18-3)11-9-16/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-methyl-4-[4-(2-methylpropyl)phenyl]aniline?
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(2-methylpropyl)phenyl]aniline is sourced from PubChem (CID 116962445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).