2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline

C18H24N2 — CID 174458688

IUPAC2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)Cc1ccccc1Cc1ccccc1N(C)C
InChIInChI=1S/C18H24N2/c1-19(2)14-17-11-6-5-9-15(17)13-16-10-7-8-12-18(16)20(3)4/h5-12H,13-14H2,1-4H3
InChIKeyDPTONBBTZQUIOZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.40
Rot. Bonds5

About 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline

2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline (PubChem CID 174458688) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
PubChem CID174458688
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)Cc1ccccc1Cc1ccccc1N(C)C
InChIInChI=1S/C18H24N2/c1-19(2)14-17-11-6-5-9-15(17)13-16-10-7-8-12-18(16)20(3)4/h5-12H,13-14H2,1-4H3
InChIKeyDPTONBBTZQUIOZ-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline
CID 11164446
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline
CID 10316689
N,N-dimethyl-1-(2-octadecylphenyl)methanamine
CID 19374198
CID 138974220
CID 138974220
1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
CID 155936920
N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
CID 175358884
1-(2-dodecylphenyl)-N,N-dimethylmethanamine;hydroiodide
CID 173329859

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline (CID 174458688) is 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline is CN(C)Cc1ccccc1Cc1ccccc1N(C)C.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is DPTONBBTZQUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-19(2)14-17-11-6-5-9-15(17)13-16-10-7-8-12-18(16)20(3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline?
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 174458688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).