4-(4-chlorophenoxy)-N-methylpentan-2-amine

C12H18ClNO — CID 64720466

IUPAC4-(4-chlorophenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-9(14-3)8-10(2)15-12-6-4-11(13)5-7-12/h4-7,9-10,14H,8H2,1-3H3
InChIKeyDXUNXYGCPVCOJL-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.11
Rot. Bonds5

About 4-(4-chlorophenoxy)-N-methylpentan-2-amine

4-(4-chlorophenoxy)-N-methylpentan-2-amine (PubChem CID 64720466) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-methylpentan-2-amine
PubChem CID64720466
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(4-chlorophenoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-9(14-3)8-10(2)15-12-6-4-11(13)5-7-12/h4-7,9-10,14H,8H2,1-3H3
InChIKeyDXUNXYGCPVCOJL-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
4-(4-benzylphenoxy)-N-methylpentan-2-amine
CID 64720908
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-(4-chlorophenyl)-N-methylpentan-2-amine
CID 64719416
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine
CID 139899883
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-methylpentan-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-N-methylpentan-2-amine (CID 64720466) is 4-(4-chlorophenoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-methylpentan-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-N-methylpentan-2-amine is CNC(C)CC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-methylpentan-2-amine?
The InChIKey is DXUNXYGCPVCOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(14-3)8-10(2)15-12-6-4-11(13)5-7-12/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 4-(4-chlorophenoxy)-N-methylpentan-2-amine?
4-(4-chlorophenoxy)-N-methylpentan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 64720466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).