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

C11H15ClFNO — CID 106180782

IUPAC1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
SMILESCOCC(CCl)NCc1ccc(F)cc1
InChIInChI=1S/C11H15ClFNO/c1-15-8-11(6-12)14-7-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3
InChIKeyAOUFEXNNTHKXAB-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.17
Rot. Bonds6

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

1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine (PubChem CID 106180782) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
PubChem CID106180782
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
SMILESCOCC(CCl)NCc1ccc(F)cc1
InChIInChI=1S/C11H15ClFNO/c1-15-8-11(6-12)14-7-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3
InChIKeyAOUFEXNNTHKXAB-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.17
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-chloro-3-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106181138
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxypropan-2-amine
CID 106180822
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
N-benzyl-4-chloro-1-methoxybutan-2-amine
CID 106152824
2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024159
N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine
CID 75530130
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106152583
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315
1-chloro-N-[(4-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353768
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine?
The IUPAC name of 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine (CID 106180782) is 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine?
The canonical SMILES for 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine is COCC(CCl)NCc1ccc(F)cc1.
What is the InChIKey of 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine?
The InChIKey is AOUFEXNNTHKXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-15-8-11(6-12)14-7-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine?
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.17, 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-fluorophenyl)methyl]-3-methoxypropan-2-amine is sourced from PubChem (CID 106180782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).