1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine

C13H20ClN — CID 115854463

IUPAC1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(C)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C13H20ClN/c1-9-6-7-10(8-11(9)14)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeySBZDEXHZSUZPKR-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.96
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine

1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 115854463) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID115854463
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(C)c(Cl)c1)C(C)(C)C
InChIInChI=1S/C13H20ClN/c1-9-6-7-10(8-11(9)14)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeySBZDEXHZSUZPKR-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
[1-(3-chloro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107562330
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
[1-(3-chloro-4-methylphenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 107562387
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
CID 115504108
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine (CID 115854463) is 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1ccc(C)c(Cl)c1)C(C)(C)C.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is SBZDEXHZSUZPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-9-6-7-10(8-11(9)14)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine?
1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 115854463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).