N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine

C16H16Cl2FNO — CID 43515758

IUPACN-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-12-7-13(17)8-15(18)16(12)21-10-11-4-3-5-14(19)6-11/h3-8,20H,2,9-10H2,1H3
InChIKeyOQKXDPAQUNBAFM-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.82
Rot. Bonds6

About N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine

N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 43515758) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID43515758
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-12-7-13(17)8-15(18)16(12)21-10-11-4-3-5-14(19)6-11/h3-8,20H,2,9-10H2,1H3
InChIKeyOQKXDPAQUNBAFM-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 43515758) is N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1.
What is the InChIKey of N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is OQKXDPAQUNBAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-20-9-12-7-13(17)8-15(18)16(12)21-10-11-4-3-5-14(19)6-11/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 43515758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).