benzene;N,N-dimethyl-1-phenylmethanamine;ethane

C21H37N — CID 90785154

IUPACbenzene;N,N-dimethyl-1-phenylmethanamine;ethane
SMILESCC.CC.CC.CN(C)Cc1ccccc1.c1ccccc1
InChIInChI=1S/C9H13N.C6H6.3C2H6/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-6-5-3-1;3*1-2/h3-7H,8H2,1-2H3;1-6H;3*1-2H3
InChIKeyUNXHBRLWMZQRRW-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.51
Rot. Bonds2

About benzene;N,N-dimethyl-1-phenylmethanamine;ethane

benzene;N,N-dimethyl-1-phenylmethanamine;ethane (PubChem CID 90785154) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is benzene;N,N-dimethyl-1-phenylmethanamine;ethane.

Molecular Properties

Compound Namebenzene;N,N-dimethyl-1-phenylmethanamine;ethane
PubChem CID90785154
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Namebenzene;N,N-dimethyl-1-phenylmethanamine;ethane
SMILESCC.CC.CC.CN(C)Cc1ccccc1.c1ccccc1
InChIInChI=1S/C9H13N.C6H6.3C2H6/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-6-5-3-1;3*1-2/h3-7H,8H2,1-2H3;1-6H;3*1-2H3
InChIKeyUNXHBRLWMZQRRW-UHFFFAOYSA-N
XLogP6.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
carbonic acid;N,N-dimethyl-1-phenylmethanamine
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N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N,N-dimethyl-1-phenylmethanamine;1H-pyrrole
CID 162180373
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
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N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of benzene;N,N-dimethyl-1-phenylmethanamine;ethane?
The IUPAC name of benzene;N,N-dimethyl-1-phenylmethanamine;ethane (CID 90785154) is benzene;N,N-dimethyl-1-phenylmethanamine;ethane.
What is the SMILES notation for benzene;N,N-dimethyl-1-phenylmethanamine;ethane?
The canonical SMILES for benzene;N,N-dimethyl-1-phenylmethanamine;ethane is CC.CC.CC.CN(C)Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;N,N-dimethyl-1-phenylmethanamine;ethane?
The InChIKey is UNXHBRLWMZQRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H6.3C2H6/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-6-5-3-1;3*1-2/h3-7H,8H2,1-2H3;1-6H;3*1-2H3.
What are the key properties of benzene;N,N-dimethyl-1-phenylmethanamine;ethane?
benzene;N,N-dimethyl-1-phenylmethanamine;ethane has a molecular weight of 303.53 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-dimethyl-1-phenylmethanamine;ethane is sourced from PubChem (CID 90785154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).