(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine

C14H21ClN2O — CID 116935553

IUPAC(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C(N)C1CCNC1
InChIInChI=1S/C14H21ClN2O/c1-8-6-11(18-3)12(9(2)13(8)15)14(16)10-4-5-17-7-10/h6,10,14,17H,4-5,7,16H2,1-3H3
InChIKeyOBQUHXVJVBDAGX-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.57
Rot. Bonds3

About (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine

(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine (PubChem CID 116935553) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
PubChem CID116935553
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C(N)C1CCNC1
InChIInChI=1S/C14H21ClN2O/c1-8-6-11(18-3)12(9(2)13(8)15)14(16)10-4-5-17-7-10/h6,10,14,17H,4-5,7,16H2,1-3H3
InChIKeyOBQUHXVJVBDAGX-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935595
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935549
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922
azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116935416
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935509
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
CID 171314427
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The IUPAC name of (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine (CID 116935553) is (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The canonical SMILES for (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine is COc1cc(C)c(Cl)c(C)c1C(N)C1CCNC1.
What is the InChIKey of (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
The InChIKey is OBQUHXVJVBDAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-8-6-11(18-3)12(9(2)13(8)15)14(16)10-4-5-17-7-10/h6,10,14,17H,4-5,7,16H2,1-3H3.
What are the key properties of (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine?
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116935553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).