N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine

C14H21NO — CID 165400243

IUPACN,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
SMILESCc1ccc([C@H]2CCOC2)c(CN(C)C)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-14(12-6-7-16-10-12)13(8-11)9-15(2)3/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m0/s1
InChIKeyHKJKDFCVYLXJGU-LBPRGKRZSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds3

About N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine

N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine (PubChem CID 165400243) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
PubChem CID165400243
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
SMILESCc1ccc([C@H]2CCOC2)c(CN(C)C)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-14(12-6-7-16-10-12)13(8-11)9-15(2)3/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m0/s1
InChIKeyHKJKDFCVYLXJGU-LBPRGKRZSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine (CID 165400243) is N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine is Cc1ccc([C@H]2CCOC2)c(CN(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine?
The InChIKey is HKJKDFCVYLXJGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-5-14(12-6-7-16-10-12)13(8-11)9-15(2)3/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine?
N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine is sourced from PubChem (CID 165400243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).