N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C18H30N2O — CID 106605289

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(CN(CC(C)C)CC2CCCN2)cc1C
InChIInChI=1S/C18H30N2O/c1-14(2)11-20(13-17-6-5-9-19-17)12-16-7-8-18(21-4)15(3)10-16/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3
InChIKeyWTMMTNJHGWDZOB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.21
Rot. Bonds7

About N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605289) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605289
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(CN(CC(C)C)CC2CCCN2)cc1C
InChIInChI=1S/C18H30N2O/c1-14(2)11-20(13-17-6-5-9-19-17)12-16-7-8-18(21-4)15(3)10-16/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3
InChIKeyWTMMTNJHGWDZOB-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599006
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604286
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
2-methoxy-4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106606311
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605289) is N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is COc1ccc(CN(CC(C)C)CC2CCCN2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is WTMMTNJHGWDZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)11-20(13-17-6-5-9-19-17)12-16-7-8-18(21-4)15(3)10-16/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.21, 7 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)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).