2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine

C11H15ClFNO — CID 83895005

IUPAC2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
SMILESCCOc1c(Cl)cc(F)cc1C(C)CN
InChIInChI=1S/C11H15ClFNO/c1-3-15-11-9(7(2)6-14)4-8(13)5-10(11)12/h4-5,7H,3,6,14H2,1-2H3
InChIKeyDTYDCQUEKOIQRR-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine

2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine (PubChem CID 83895005) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
PubChem CID83895005
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
SMILESCCOc1c(Cl)cc(F)cc1C(C)CN
InChIInChI=1S/C11H15ClFNO/c1-3-15-11-9(7(2)6-14)4-8(13)5-10(11)12/h4-5,7H,3,6,14H2,1-2H3
InChIKeyDTYDCQUEKOIQRR-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
CID 83893597
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
CID 170894996
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
CID 83894588

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine (CID 83895005) is 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine is CCOc1c(Cl)cc(F)cc1C(C)CN.
What is the InChIKey of 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine?
The InChIKey is DTYDCQUEKOIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-3-15-11-9(7(2)6-14)4-8(13)5-10(11)12/h4-5,7H,3,6,14H2,1-2H3.
What are the key properties of 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine?
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83895005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).