N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine

C17H21N — CID 11838799

IUPACN,N-dimethyl-1,1-bis(4-methylphenyl)methanamine
SMILESCc1ccc(C(c2ccc(C)cc2)N(C)C)cc1
InChIInChI=1S/C17H21N/c1-13-5-9-15(10-6-13)17(18(3)4)16-11-7-14(2)8-12-16/h5-12,17H,1-4H3
InChIKeyRTUAIBACJCHLIS-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.95
Rot. Bonds3

About N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine

N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine (PubChem CID 11838799) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1,1-bis(4-methylphenyl)methanamine
PubChem CID11838799
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,N-dimethyl-1,1-bis(4-methylphenyl)methanamine
SMILESCc1ccc(C(c2ccc(C)cc2)N(C)C)cc1
InChIInChI=1S/C17H21N/c1-13-5-9-15(10-6-13)17(18(3)4)16-11-7-14(2)8-12-16/h5-12,17H,1-4H3
InChIKeyRTUAIBACJCHLIS-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1,1-bis(4-methylphenyl)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-1,1-bis(4-methylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine (CID 11838799) is N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine is Cc1ccc(C(c2ccc(C)cc2)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine?
The InChIKey is RTUAIBACJCHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-5-9-15(10-6-13)17(18(3)4)16-11-7-14(2)8-12-16/h5-12,17H,1-4H3.
What are the key properties of N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine?
N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1-bis(4-methylphenyl)methanamine is sourced from PubChem (CID 11838799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).