3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine

C11H14ClF2NO — CID 116838545

IUPAC3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine
SMILESCOc1cc(C)c(C(F)(F)CCN)cc1Cl
InChIInChI=1S/C11H14ClF2NO/c1-7-5-10(16-2)9(12)6-8(7)11(13,14)3-4-15/h5-6H,3-4,15H2,1-2H3
InChIKeyOWNSKGGYGTXQDC-UHFFFAOYSA-N
MW249.69 g/mol
LogP3.10
Rot. Bonds4

About 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine

3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine (PubChem CID 116838545) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine
PubChem CID116838545
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine
SMILESCOc1cc(C)c(C(F)(F)CCN)cc1Cl
InChIInChI=1S/C11H14ClF2NO/c1-7-5-10(16-2)9(12)6-8(7)11(13,14)3-4-15/h5-6H,3-4,15H2,1-2H3
InChIKeyOWNSKGGYGTXQDC-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519809
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
CID 116839527
2-N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131913
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine?
The IUPAC name of 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine (CID 116838545) is 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine is COc1cc(C)c(C(F)(F)CCN)cc1Cl.
What is the InChIKey of 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine?
The InChIKey is OWNSKGGYGTXQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO/c1-7-5-10(16-2)9(12)6-8(7)11(13,14)3-4-15/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine?
3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine has a molecular weight of 249.69 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 116838545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).