2-(2-chloro-4-methylphenoxy)pentan-3-amine

C12H18ClNO — CID 62671098

IUPAC2-(2-chloro-4-methylphenoxy)pentan-3-amine
SMILESCCC(N)C(C)Oc1ccc(C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-11(14)9(3)15-12-6-5-8(2)7-10(12)13/h5-7,9,11H,4,14H2,1-3H3
InChIKeySIDITGOGYPEGQF-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-chloro-4-methylphenoxy)pentan-3-amine

2-(2-chloro-4-methylphenoxy)pentan-3-amine (PubChem CID 62671098) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)pentan-3-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)pentan-3-amine
PubChem CID62671098
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-chloro-4-methylphenoxy)pentan-3-amine
SMILESCCC(N)C(C)Oc1ccc(C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-11(14)9(3)15-12-6-5-8(2)7-10(12)13/h5-7,9,11H,4,14H2,1-3H3
InChIKeySIDITGOGYPEGQF-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine
CID 63501091
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
3-(2-chloro-4-methylphenoxy)butanethioamide
CID 115002472
2-chloro-1-(2-chloro-4-methylphenoxy)ethanol
CID 23046915
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
CID 112678472
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)pentan-3-amine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)pentan-3-amine (CID 62671098) is 2-(2-chloro-4-methylphenoxy)pentan-3-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)pentan-3-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)pentan-3-amine is CCC(N)C(C)Oc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)pentan-3-amine?
The InChIKey is SIDITGOGYPEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-11(14)9(3)15-12-6-5-8(2)7-10(12)13/h5-7,9,11H,4,14H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)pentan-3-amine?
2-(2-chloro-4-methylphenoxy)pentan-3-amine has a molecular weight of 227.73 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)pentan-3-amine is sourced from PubChem (CID 62671098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).