3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine

C15H24ClNO — CID 43530998

IUPAC3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
SMILESCCC(CCN)Oc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-12(6-7-17)18-15-9-13(10(2)3)14(16)8-11(15)4/h8-10,12H,5-7,17H2,1-4H3
InChIKeyJOUQUNKWTFIVPP-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.28
Rot. Bonds6

About 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine

3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine (PubChem CID 43530998) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
PubChem CID43530998
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
SMILESCCC(CCN)Oc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-12(6-7-17)18-15-9-13(10(2)3)14(16)8-11(15)4/h8-10,12H,5-7,17H2,1-4H3
InChIKeyJOUQUNKWTFIVPP-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentanimidamide
CID 43368956
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
CID 43804632
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63497194
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 63461400
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine?
The IUPAC name of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine (CID 43530998) is 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine?
The canonical SMILES for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine is CCC(CCN)Oc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine?
The InChIKey is JOUQUNKWTFIVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-12(6-7-17)18-15-9-13(10(2)3)14(16)8-11(15)4/h8-10,12H,5-7,17H2,1-4H3.
What are the key properties of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine?
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine is sourced from PubChem (CID 43530998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).