N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline

C15H18N2 — CID 62001605

IUPACN-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)c2ccc(CN)cc2)c1
InChIInChI=1S/C15H18N2/c1-12-4-3-5-15(10-12)17(2)14-8-6-13(11-16)7-9-14/h3-10H,11,16H2,1-2H3
InChIKeyITHYEDYMHNNJJT-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.22
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline

N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline (PubChem CID 62001605) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
PubChem CID62001605
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)c2ccc(CN)cc2)c1
InChIInChI=1S/C15H18N2/c1-12-4-3-5-15(10-12)17(2)14-8-6-13(11-16)7-9-14/h3-10H,11,16H2,1-2H3
InChIKeyITHYEDYMHNNJJT-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline (CID 62001605) is N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline is Cc1cccc(N(C)c2ccc(CN)cc2)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline?
The InChIKey is ITHYEDYMHNNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-4-3-5-15(10-12)17(2)14-8-6-13(11-16)7-9-14/h3-10H,11,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline?
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline is sourced from PubChem (CID 62001605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).