4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline

C19H25N — CID 43760581

IUPAC4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C19H25N/c1-13(2)17-6-8-19(9-7-17)20-12-18-11-15(4)14(3)10-16(18)5/h6-11,13,20H,12H2,1-5H3
InChIKeyHOBMKZLOWXKXKR-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.35
Rot. Bonds4

About 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline

4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 43760581) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID43760581
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C19H25N/c1-13(2)17-6-8-19(9-7-17)20-12-18-11-15(4)14(3)10-16(18)5/h6-11,13,20H,12H2,1-5H3
InChIKeyHOBMKZLOWXKXKR-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
CID 115777910
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
3-iodo-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43784979
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-propan-2-ylaniline
CID 79605539
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
CID 43681046

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 43760581) is 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is HOBMKZLOWXKXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13(2)17-6-8-19(9-7-17)20-12-18-11-15(4)14(3)10-16(18)5/h6-11,13,20H,12H2,1-5H3.
What are the key properties of 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 267.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 43760581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).