4-(2,4-dichlorophenoxy)pentan-1-amine

C11H15Cl2NO — CID 62461001

IUPAC4-(2,4-dichlorophenoxy)pentan-1-amine
SMILESCC(CCCN)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-8(3-2-6-14)15-11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyZCKOGVOPISFATA-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.50
Rot. Bonds5

About 4-(2,4-dichlorophenoxy)pentan-1-amine

4-(2,4-dichlorophenoxy)pentan-1-amine (PubChem CID 62461001) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)pentan-1-amine
PubChem CID62461001
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name4-(2,4-dichlorophenoxy)pentan-1-amine
SMILESCC(CCCN)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-8(3-2-6-14)15-11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyZCKOGVOPISFATA-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
4-(2-methoxyphenoxy)pentan-1-amine
CID 62460101
4-(1-aminopropan-2-yloxy)-3-chloroaniline
CID 82506183
2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
CID 70463022
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
CID 54799235
4-[2-chloro-4-[[3-chloro-4-[5-(diethylamino)pentan-2-yloxy]phenyl]methyl]phenoxy]-N,N-diethylpentan-1-amine
CID 58806963
5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
CID 102982026
4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)pentan-1-amine?
The IUPAC name of 4-(2,4-dichlorophenoxy)pentan-1-amine (CID 62461001) is 4-(2,4-dichlorophenoxy)pentan-1-amine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)pentan-1-amine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)pentan-1-amine is CC(CCCN)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)pentan-1-amine?
The InChIKey is ZCKOGVOPISFATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-8(3-2-6-14)15-11-5-4-9(12)7-10(11)13/h4-5,7-8H,2-3,6,14H2,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)pentan-1-amine?
4-(2,4-dichlorophenoxy)pentan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)pentan-1-amine is sourced from PubChem (CID 62461001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).