N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine

C16H16ClF2NO — CID 43488937

IUPACN-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C16H16ClF2NO/c1-2-20-15(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)21-16(18)19/h3-10,15-16,20H,2H2,1H3
InChIKeyCWNUZJVCOWRQPU-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.64
Rot. Bonds6

About N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine

N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 43488937) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
PubChem CID43488937
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C16H16ClF2NO/c1-2-20-15(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)21-16(18)19/h3-10,15-16,20H,2H2,1H3
InChIKeyCWNUZJVCOWRQPU-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484647
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481244
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143
N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858860
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine (CID 43488937) is N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is CWNUZJVCOWRQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-2-20-15(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)21-16(18)19/h3-10,15-16,20H,2H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43488937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).