N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

C14H22N2O2 — CID 115208780

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCNC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-17-13-4-3-12(14(7-13)18-2)10-16-9-11-5-6-15-8-11/h3-4,7,11,15-16H,5-6,8-10H2,1-2H3
InChIKeyKMQHCPBIEDPTFP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208780) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID115208780
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCNC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-17-13-4-3-12(14(7-13)18-2)10-16-9-11-5-6-15-8-11/h3-4,7,11,15-16H,5-6,8-10H2,1-2H3
InChIKeyKMQHCPBIEDPTFP-UHFFFAOYSA-N
XLogP1.40
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209649
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 63362740

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 115208780) is N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is COc1ccc(CNCC2CCNC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is KMQHCPBIEDPTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-13-4-3-12(14(7-13)18-2)10-16-9-11-5-6-15-8-11/h3-4,7,11,15-16H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).