N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine

C11H15ClFN — CID 103991396

IUPACN-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine
SMILESCc1cc(CNCCCF)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-9-7-10(3-4-11(9)12)8-14-6-2-5-13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyFITHYLCZTBKQOQ-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine

N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine (PubChem CID 103991396) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine
PubChem CID103991396
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine
SMILESCc1cc(CNCCCF)ccc1Cl
InChIInChI=1S/C11H15ClFN/c1-9-7-10(3-4-11(9)12)8-14-6-2-5-13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyFITHYLCZTBKQOQ-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chloro-3-methylphenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410258
N-[(4-chloro-3-methylphenyl)methyl]-3-methoxypropan-1-amine
CID 103990923
N-[(4-chloro-3-methylphenyl)methyl]-2-methylsulfonylethanamine
CID 103991082
N-[(4-chloro-3-methylphenyl)methyl]-1-phenylmethanamine
CID 103990933
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 113362652
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
2-chloro-N-[(4-chloro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 103991295
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine (CID 103991396) is N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine is Cc1cc(CNCCCF)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine?
The InChIKey is FITHYLCZTBKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-9-7-10(3-4-11(9)12)8-14-6-2-5-13/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine?
N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 103991396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).