1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine

C11H14Cl2FNO — CID 106181138

IUPAC1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine
SMILESCOCC(CCl)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14Cl2FNO/c1-16-7-9(5-12)15-6-8-2-3-10(13)11(14)4-8/h2-4,9,15H,5-7H2,1H3
InChIKeyVCSRMEPCMKECLH-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.82
Rot. Bonds6

About 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine

1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine (PubChem CID 106181138) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine
PubChem CID106181138
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine
SMILESCOCC(CCl)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14Cl2FNO/c1-16-7-9(5-12)15-6-8-2-3-10(13)11(14)4-8/h2-4,9,15H,5-7H2,1H3
InChIKeyVCSRMEPCMKECLH-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxypropan-2-amine
CID 106180890
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65025834
1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353720
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025532
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
N-[(3-chloro-4-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106816854
N-[(4-bromo-2-chlorophenyl)methyl]-1-chloro-3-methoxypropan-2-amine
CID 106180570
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxypropan-2-amine
CID 106180822
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103773727
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine?
The IUPAC name of 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine (CID 106181138) is 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine?
The canonical SMILES for 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine is COCC(CCl)NCc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine?
The InChIKey is VCSRMEPCMKECLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FNO/c1-16-7-9(5-12)15-6-8-2-3-10(13)11(14)4-8/h2-4,9,15H,5-7H2,1H3.
What are the key properties of 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine?
1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine has a molecular weight of 266.14 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine is sourced from PubChem (CID 106181138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).