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

C11H15ClFNO — CID 65024159

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCC(Cl)CNCc1ccc(F)cc1
InChIInChI=1S/C11H15ClFNO/c1-15-8-10(12)7-14-6-9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3
InChIKeySEEXYCUNHCBQGZ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.17
Rot. Bonds6

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

2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine (PubChem CID 65024159) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
PubChem CID65024159
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCC(Cl)CNCc1ccc(F)cc1
InChIInChI=1S/C11H15ClFNO/c1-15-8-10(12)7-14-6-9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3
InChIKeySEEXYCUNHCBQGZ-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

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 65024222
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416
3-chloro-N-[(4-fluorophenyl)methyl]-2-trimethylsilyloxypropan-1-amine
CID 14089784
2-chloro-N-[(2,5-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 65023585
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
CID 105374733
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine (CID 65024159) is 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine is COCC(Cl)CNCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is SEEXYCUNHCBQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-15-8-10(12)7-14-6-9-2-4-11(13)5-3-9/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-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 2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 65024159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).