ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine

C11H18FN — CID 163403663

IUPACethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCC.CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C9H12FN.C2H6/c1-11(2)7-8-3-5-9(10)6-4-8;1-2/h3-6H,7H2,1-2H3;1-2H3
InChIKeyIAZLHTPYSBXTKH-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.91
Rot. Bonds2

About ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine

ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 163403663) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID163403663
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Nameethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCC.CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C9H12FN.C2H6/c1-11(2)7-8-3-5-9(10)6-4-8;1-2/h3-6H,7H2,1-2H3;1-2H3
InChIKeyIAZLHTPYSBXTKH-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 143652476
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide
CID 119005320
1-[4-(2-fluorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 145011426
4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 99796852
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
CID 63387186

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine (CID 163403663) is ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine is CC.CN(C)Cc1ccc(F)cc1.
What is the InChIKey of ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is IAZLHTPYSBXTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN.C2H6/c1-11(2)7-8-3-5-9(10)6-4-8;1-2/h3-6H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine?
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 183.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 163403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).