N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine

C14H21ClN2O — CID 115145780

IUPACN-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCOc1ccc(N(C)C2CNC(C)(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-14(2)8-11(9-16-14)17(3)10-5-6-13(18-4)12(15)7-10/h5-7,11,16H,8-9H2,1-4H3
InChIKeyXXDSPGAAEPWHFO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.93
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine

N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115145780) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115145780
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCOc1ccc(N(C)C2CNC(C)(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-14(2)8-11(9-16-14)17(3)10-5-6-13(18-4)12(15)7-10/h5-7,11,16H,8-9H2,1-4H3
InChIKeyXXDSPGAAEPWHFO-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-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

N-(2,5-dimethoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 115145778
4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol
CID 115149405
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 82013361
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine
CID 90357546
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
3-(3-chloro-4-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135194
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
CID 66476585
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64935468

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 115145780) is N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine is COc1ccc(N(C)C2CNC(C)(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is XXDSPGAAEPWHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2)8-11(9-16-14)17(3)10-5-6-13(18-4)12(15)7-10/h5-7,11,16H,8-9H2,1-4H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine?
N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115145780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).