3-(2,4,6-trichlorophenoxy)propan-1-amine

C9H10Cl3NO — CID 10060902

IUPAC3-(2,4,6-trichlorophenoxy)propan-1-amine
SMILESNCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO/c10-6-4-7(11)9(8(12)5-6)14-3-1-2-13/h4-5H,1-3,13H2
InChIKeyQWMQUUNOHDPHHI-UHFFFAOYSA-N
MW254.54 g/mol
LogP3.37
Rot. Bonds4

About 3-(2,4,6-trichlorophenoxy)propan-1-amine

3-(2,4,6-trichlorophenoxy)propan-1-amine (PubChem CID 10060902) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 3-(2,4,6-trichlorophenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,6-trichlorophenoxy)propan-1-amine
PubChem CID10060902
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name3-(2,4,6-trichlorophenoxy)propan-1-amine
SMILESNCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO/c10-6-4-7(11)9(8(12)5-6)14-3-1-2-13/h4-5H,1-3,13H2
InChIKeyQWMQUUNOHDPHHI-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.37
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

1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
5-(2,4,6-trichlorophenoxy)pentan-1-ol
CID 62229545
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
[5-chloro-2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22684932
5-(2,4,6-trichlorophenoxy)pentanethioamide
CID 54966446
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338
3-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]propan-1-amine
CID 22006787
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
4-(3,5-dichloro-2-propoxyphenyl)heptan-1-amine
CID 83941299

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trichlorophenoxy)propan-1-amine?
The IUPAC name of 3-(2,4,6-trichlorophenoxy)propan-1-amine (CID 10060902) is 3-(2,4,6-trichlorophenoxy)propan-1-amine.
What is the SMILES notation for 3-(2,4,6-trichlorophenoxy)propan-1-amine?
The canonical SMILES for 3-(2,4,6-trichlorophenoxy)propan-1-amine is NCCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,6-trichlorophenoxy)propan-1-amine?
The InChIKey is QWMQUUNOHDPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO/c10-6-4-7(11)9(8(12)5-6)14-3-1-2-13/h4-5H,1-3,13H2.
What are the key properties of 3-(2,4,6-trichlorophenoxy)propan-1-amine?
3-(2,4,6-trichlorophenoxy)propan-1-amine has a molecular weight of 254.54 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trichlorophenoxy)propan-1-amine is sourced from PubChem (CID 10060902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).