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

C14H22N2O — CID 81466833

IUPACN-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(NC2CC(C)N(C)C2)cc1C
InChIInChI=1S/C14H22N2O/c1-10-7-12(5-6-14(10)17-4)15-13-8-11(2)16(3)9-13/h5-7,11,13,15H,8-9H2,1-4H3
InChIKeyILWXVUKTARIWBZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds3

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

N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466833) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466833
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(NC2CC(C)N(C)C2)cc1C
InChIInChI=1S/C14H22N2O/c1-10-7-12(5-6-14(10)17-4)15-13-8-11(2)16(3)9-13/h5-7,11,13,15H,8-9H2,1-4H3
InChIKeyILWXVUKTARIWBZ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424
N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467101
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
CID 64624416
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81467875
N-(2-chloro-4,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466523
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
4-methoxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998881
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665336
N-(4-methoxy-3-methylphenyl)-1-oxothian-4-amine
CID 54981489
1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 81465612
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466833) is N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine is COc1ccc(NC2CC(C)N(C)C2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is ILWXVUKTARIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-12(5-6-14(10)17-4)15-13-8-11(2)16(3)9-13/h5-7,11,13,15H,8-9H2,1-4H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).