1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine

C14H21ClN2O — CID 117018172

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1cc(Cl)c(C)cc1N1CC(N)CC1(C)C
InChIInChI=1S/C14H21ClN2O/c1-9-5-12(13(18-4)6-11(9)15)17-8-10(16)7-14(17,2)3/h5-6,10H,7-8,16H2,1-4H3
InChIKeyOLXITBZTDUIDIZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.97
Rot. Bonds2

About 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine

1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 117018172) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID117018172
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCOc1cc(Cl)c(C)cc1N1CC(N)CC1(C)C
InChIInChI=1S/C14H21ClN2O/c1-9-5-12(13(18-4)6-11(9)15)17-8-10(16)7-14(17,2)3/h5-6,10H,7-8,16H2,1-4H3
InChIKeyOLXITBZTDUIDIZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine
CID 117010135
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918442
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018146
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512560
4-(aminomethyl)-1-(5-chloro-2-methoxy-4-methylphenyl)pyrrolidin-2-one
CID 83556585
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1-(4-chloro-2-methoxy-5-methylphenyl)-3,3-diethyl-1,4-diazepane
CID 64945348

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine (CID 117018172) is 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine is COc1cc(Cl)c(C)cc1N1CC(N)CC1(C)C.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is OLXITBZTDUIDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-5-12(13(18-4)6-11(9)15)17-8-10(16)7-14(17,2)3/h5-6,10H,7-8,16H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine?
1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).