N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine

C15H22ClNO — CID 62451103

IUPACN-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C15H22ClNO/c1-4-14(9-17-13-5-6-13)18-15-10(2)7-12(16)8-11(15)3/h7-8,13-14,17H,4-6,9H2,1-3H3
InChIKeyNKIDUNMOZQSKMP-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine

N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine (PubChem CID 62451103) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
PubChem CID62451103
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C15H22ClNO/c1-4-14(9-17-13-5-6-13)18-15-10(2)7-12(16)8-11(15)3/h7-8,13-14,17H,4-6,9H2,1-3H3
InChIKeyNKIDUNMOZQSKMP-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
CID 62485952
N-(2-phenoxybutyl)cyclopentanamine
CID 54798929
2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 62450743
N-[(3,5-dibromo-4-pentan-3-yloxyphenyl)methyl]cyclopropanamine
CID 107743424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine (CID 62451103) is N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine?
The InChIKey is NKIDUNMOZQSKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-14(9-17-13-5-6-13)18-15-10(2)7-12(16)8-11(15)3/h7-8,13-14,17H,4-6,9H2,1-3H3.
What are the key properties of N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine?
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine has a molecular weight of 267.80 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62451103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).