N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine

C17H21N — CID 83382566

IUPACN,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
SMILESCC(c1ccccc1)c1ccc(CN(C)C)cc1
InChIInChI=1S/C17H21N/c1-14(16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-18(2)3/h4-12,14H,13H2,1-3H3
InChIKeyOUOHPBILYMSSFV-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.90
Rot. Bonds4

About N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine

N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine (PubChem CID 83382566) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
PubChem CID83382566
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
SMILESCC(c1ccccc1)c1ccc(CN(C)C)cc1
InChIInChI=1S/C17H21N/c1-14(16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-18(2)3/h4-12,14H,13H2,1-3H3
InChIKeyOUOHPBILYMSSFV-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
2-[4-[(dimethylamino)methyl]phenyl]propanal
CID 174405689
2-[4-(1-phenylethyl)phenyl]acetonitrile
CID 22408223

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine (CID 83382566) is N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine is CC(c1ccccc1)c1ccc(CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine?
The InChIKey is OUOHPBILYMSSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14(16-7-5-4-6-8-16)17-11-9-15(10-12-17)13-18(2)3/h4-12,14H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine?
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine is sourced from PubChem (CID 83382566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).