N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline

C19H24ClN — CID 43693574

IUPACN-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(NCc2cccc(Cl)c2)c(C(C)C)c1
InChIInChI=1S/C19H24ClN/c1-13(2)16-8-9-19(18(11-16)14(3)4)21-12-15-6-5-7-17(20)10-15/h5-11,13-14,21H,12H2,1-4H3
InChIKeyRDDNUQPQDLXLCH-UHFFFAOYSA-N
MW301.86 g/mol
LogP6.20
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline

N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline (PubChem CID 43693574) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline
PubChem CID43693574
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(NCc2cccc(Cl)c2)c(C(C)C)c1
InChIInChI=1S/C19H24ClN/c1-13(2)16-8-9-19(18(11-16)14(3)4)21-12-15-6-5-7-17(20)10-15/h5-11,13-14,21H,12H2,1-4H3
InChIKeyRDDNUQPQDLXLCH-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693536
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
CID 62759112
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
CID 66385138
4-bromo-N-[(3-chlorophenyl)methyl]-2-methoxyaniline
CID 166090636
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 102832541
N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 62749292

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline (CID 43693574) is N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline is CC(C)c1ccc(NCc2cccc(Cl)c2)c(C(C)C)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline?
The InChIKey is RDDNUQPQDLXLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-13(2)16-8-9-19(18(11-16)14(3)4)21-12-15-6-5-7-17(20)10-15/h5-11,13-14,21H,12H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline?
N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline has a molecular weight of 301.86 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 43693574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).