[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride

C16H18Cl2FNO — CID 172653793

IUPAC[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
SMILESCC(C)Oc1ccc(CN)c(-c2cc(F)ccc2Cl)c1.Cl
InChIInChI=1S/C16H17ClFNO.ClH/c1-10(2)20-13-5-3-11(9-19)14(8-13)15-7-12(18)4-6-16(15)17;/h3-8,10H,9,19H2,1-2H3;1H
InChIKeyMINYCFKZIABHQE-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.81
Rot. Bonds4

About [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride

[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride (PubChem CID 172653793) has the molecular formula C16H18Cl2FNO and a molecular weight of 330.23 g/mol. Its IUPAC name is [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
PubChem CID172653793
Molecular FormulaC16H18Cl2FNO
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
SMILESCC(C)Oc1ccc(CN)c(-c2cc(F)ccc2Cl)c1.Cl
InChIInChI=1S/C16H17ClFNO.ClH/c1-10(2)20-13-5-3-11(9-19)14(8-13)15-7-12(18)4-6-16(15)17;/h3-8,10H,9,19H2,1-2H3;1H
InChIKeyMINYCFKZIABHQE-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
CID 172653787
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
CID 172654236
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
CID 114060514
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 63410238
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
[2-(2-chloro-5-fluorophenyl)-4-fluorophenyl]methanol
CID 172653766
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
1-[2-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 172653781
(4-propan-2-yloxy-2-pyridin-2-ylphenyl)methanamine
CID 174880823
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
2-chloro-5-propan-2-yloxyaniline
CID 39237829

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride?
The IUPAC name of [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride (CID 172653793) is [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride is CC(C)Oc1ccc(CN)c(-c2cc(F)ccc2Cl)c1.Cl.
What is the InChIKey of [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride?
The InChIKey is MINYCFKZIABHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO.ClH/c1-10(2)20-13-5-3-11(9-19)14(8-13)15-7-12(18)4-6-16(15)17;/h3-8,10H,9,19H2,1-2H3;1H.
What are the key properties of [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride?
[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride has a molecular weight of 330.23 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 172653793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).