(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine

C14H23N2P — CID 166885584

IUPAC(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(P)c1CN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C14H23N2P/c1-11-5-4-6-14(17)13(11)10-16-8-7-12(9-16)15(2)3/h4-6,12H,7-10,17H2,1-3H3/t12-/m1/s1
InChIKeyLOAGKCPAFGGGGZ-GFCCVEGCSA-N
MW250.33 g/mol
LogP1.63
Rot. Bonds3

About (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 166885584) has the molecular formula C14H23N2P and a molecular weight of 250.33 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine
PubChem CID166885584
Molecular FormulaC14H23N2P
Molecular Weight250.33 g/mol
Exact Mass250.16
IUPAC Name(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(P)c1CN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C14H23N2P/c1-11-5-4-6-14(17)13(11)10-16-8-7-12(9-16)15(2)3/h4-6,12H,7-10,17H2,1-3H3/t12-/m1/s1
InChIKeyLOAGKCPAFGGGGZ-GFCCVEGCSA-N
XLogP1.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-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

1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
3-chloro-1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 102959994
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 172648455
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane
CID 144657275

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine (CID 166885584) is (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine is Cc1cccc(P)c1CN1CC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is LOAGKCPAFGGGGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N2P/c1-11-5-4-6-14(17)13(11)10-16-8-7-12(9-16)15(2)3/h4-6,12H,7-10,17H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 250.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[(2-methyl-6-phosphanylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 166885584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).