3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline

C20H27N — CID 43100358

IUPAC3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
SMILESCc1cc(C)cc(NC(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C20H27N/c1-14(2)10-18-6-8-19(9-7-18)17(5)21-20-12-15(3)11-16(4)13-20/h6-9,11-14,17,21H,10H2,1-5H3
InChIKeyMZIOLYVODNCZJQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.68
Rot. Bonds5

About 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline

3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline (PubChem CID 43100358) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
PubChem CID43100358
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
SMILESCc1cc(C)cc(NC(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C20H27N/c1-14(2)10-18-6-8-19(9-7-18)17(5)21-20-12-15(3)11-16(4)13-20/h6-9,11-14,17,21H,10H2,1-5H3
InChIKeyMZIOLYVODNCZJQ-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
4-[1-(3-fluoro-5-methylanilino)ethyl]phenol
CID 79054695
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853877
3-bromo-N-[1-(4-tert-butylphenyl)ethyl]-5-methylaniline
CID 107582349
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline (CID 43100358) is 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline is Cc1cc(C)cc(NC(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The InChIKey is MZIOLYVODNCZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14(2)10-18-6-8-19(9-7-18)17(5)21-20-12-15(3)11-16(4)13-20/h6-9,11-14,17,21H,10H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline has a molecular weight of 281.44 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).