4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine

C14H22ClNO — CID 112512686

IUPAC4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
SMILESCC(C)Oc1ccc(C(C)CCCN)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-10(2)17-14-7-6-12(9-13(14)15)11(3)5-4-8-16/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyOQNQUQSZNLKPKG-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.97
Rot. Bonds6

About 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine

4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 112512686) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID112512686
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
SMILESCC(C)Oc1ccc(C(C)CCCN)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-10(2)17-14-7-6-12(9-13(14)15)11(3)5-4-8-16/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyOQNQUQSZNLKPKG-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dichlorophenoxy)pentan-1-amine
CID 62461001
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
CID 105424992
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
CID 43712013
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979881

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine (CID 112512686) is 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine is CC(C)Oc1ccc(C(C)CCCN)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is OQNQUQSZNLKPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)17-14-7-6-12(9-13(14)15)11(3)5-4-8-16/h6-7,9-11H,4-5,8,16H2,1-3H3.
What are the key properties of 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine?
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 112512686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).