N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine

C22H30N2O — CID 55378412

IUPACN-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(C(CNCc2ccc(C)cc2C)N2CCCC2)c1
InChIInChI=1S/C22H30N2O/c1-17-9-10-20(18(2)13-17)15-23-16-22(24-11-4-5-12-24)19-7-6-8-21(14-19)25-3/h6-10,13-14,22-23H,4-5,11-12,15-16H2,1-3H3
InChIKeySPLKWEFZXMFIIZ-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.24
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine

N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 55378412) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID55378412
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(C(CNCc2ccc(C)cc2C)N2CCCC2)c1
InChIInChI=1S/C22H30N2O/c1-17-9-10-20(18(2)13-17)15-23-16-22(24-11-4-5-12-24)19-7-6-8-21(14-19)25-3/h6-10,13-14,22-23H,4-5,11-12,15-16H2,1-3H3
InChIKeySPLKWEFZXMFIIZ-UHFFFAOYSA-N
XLogP4.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378168
2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 55464306
3-[[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030109
2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60590030
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60590059
(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
CID 119832228
(2S)-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94067857
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine (CID 55378412) is N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine is COc1cccc(C(CNCc2ccc(C)cc2C)N2CCCC2)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is SPLKWEFZXMFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-17-9-10-20(18(2)13-17)15-23-16-22(24-11-4-5-12-24)19-7-6-8-21(14-19)25-3/h6-10,13-14,22-23H,4-5,11-12,15-16H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine?
N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 338.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 55378412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).