N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

C14H22N2O2 — CID 55172188

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(CN(C)C2CCNC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-16(12-6-7-15-9-12)10-11-4-5-13(17-2)8-14(11)18-3/h4-5,8,12,15H,6-7,9-10H2,1-3H3
InChIKeyPCXSTKJYHZXAKC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.50
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine

N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 55172188) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID55172188
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(CN(C)C2CCNC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-16(12-6-7-15-9-12)10-11-4-5-13(17-2)8-14(11)18-3/h4-5,8,12,15H,6-7,9-10H2,1-3H3
InChIKeyPCXSTKJYHZXAKC-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
(3S,4R)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-methoxypiperidin-4-amine
CID 125493457
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine (CID 55172188) is N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is COc1ccc(CN(C)C2CCNC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is PCXSTKJYHZXAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(12-6-7-15-9-12)10-11-4-5-13(17-2)8-14(11)18-3/h4-5,8,12,15H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 55172188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).