N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine

C16H15Cl2F2N — CID 23286751

IUPACN,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCN(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-2-21(9-11-13(17)5-3-7-15(11)19)10-12-14(18)6-4-8-16(12)20/h3-8H,2,9-10H2,1H3
InChIKeyMNYVFJBSOCKTTN-UHFFFAOYSA-N
MW330.20 g/mol
LogP5.29
Rot. Bonds5

About N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine

N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine (PubChem CID 23286751) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.20 g/mol. Its IUPAC name is N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine
PubChem CID23286751
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.20 g/mol
Exact Mass329.05
IUPAC NameN,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCN(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-2-21(9-11-13(17)5-3-7-15(11)19)10-12-14(18)6-4-8-16(12)20/h3-8H,2,9-10H2,1H3
InChIKeyMNYVFJBSOCKTTN-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
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2-[(2-Chloro-6-fluorophenyl)methylamino]-3-[(2-chlorophenyl)methylamino]but-2-enedinitrile
CID 4561412
Clobenzorex hydrochloride
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1-(2-Chlorophenyl)-N,N-dimethylmethanamine
CID 818014
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-[(2-chlorophenyl)methyl]piperazine
CID 764825
N-benzyl-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 870760
N-benzyl-N-(2,6-difluorobenzyl)ethanamine
CID 870761
4-Benzyl-1-(2-chlorobenzyl)piperidine
CID 1377195

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The IUPAC name of N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine (CID 23286751) is N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine is CCN(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The InChIKey is MNYVFJBSOCKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21(9-11-13(17)5-3-7-15(11)19)10-12-14(18)6-4-8-16(12)20/h3-8H,2,9-10H2,1H3.
What are the key properties of N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine?
N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine has a molecular weight of 330.20 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 23286751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).