N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine

C19H30N2O — CID 131906546

IUPACN-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
SMILESCN(CC1CCN(c2ccccc2)C1)CC1(C)CCOCC1
InChIInChI=1S/C19H30N2O/c1-19(9-12-22-13-10-19)16-20(2)14-17-8-11-21(15-17)18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3
InChIKeyANKAIQAHRGHUHG-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine

N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine (PubChem CID 131906546) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
PubChem CID131906546
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
SMILESCN(CC1CCN(c2ccccc2)C1)CC1(C)CCOCC1
InChIInChI=1S/C19H30N2O/c1-19(9-12-22-13-10-19)16-20(2)14-17-8-11-21(15-17)18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3
InChIKeyANKAIQAHRGHUHG-UHFFFAOYSA-N
XLogP3.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine 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-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one
CID 124757557
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 70765652
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine (CID 131906546) is N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine is CN(CC1CCN(c2ccccc2)C1)CC1(C)CCOCC1.
What is the InChIKey of N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine?
The InChIKey is ANKAIQAHRGHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(9-12-22-13-10-19)16-20(2)14-17-8-11-21(15-17)18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine?
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine has a molecular weight of 302.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 131906546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).