3-(3-chloro-4-fluorophenoxy)propan-1-amine

C9H11ClFNO — CID 60729809

IUPAC3-(3-chloro-4-fluorophenoxy)propan-1-amine
SMILESNCCCOc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6H,1,4-5,12H2
InChIKeyKUYNUWMWSJLWBC-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.21
Rot. Bonds4

About 3-(3-chloro-4-fluorophenoxy)propan-1-amine

3-(3-chloro-4-fluorophenoxy)propan-1-amine (PubChem CID 60729809) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)propan-1-amine
PubChem CID60729809
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-(3-chloro-4-fluorophenoxy)propan-1-amine
SMILESNCCCOc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6H,1,4-5,12H2
InChIKeyKUYNUWMWSJLWBC-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
5-(3-chloro-4-fluorophenoxy)pentanenitrile
CID 60673566
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
4-[2-(3-chloro-4-fluorophenoxy)ethyl]aniline
CID 55258225
3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409125
3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-1-amine
CID 55092971
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)propan-1-amine (CID 60729809) is 3-(3-chloro-4-fluorophenoxy)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)propan-1-amine is NCCCOc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)propan-1-amine?
The InChIKey is KUYNUWMWSJLWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6H,1,4-5,12H2.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)propan-1-amine?
3-(3-chloro-4-fluorophenoxy)propan-1-amine has a molecular weight of 203.64 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)propan-1-amine is sourced from PubChem (CID 60729809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).