N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine

C15H22ClNO — CID 62485514

IUPACN-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OC(CNC2CC2)C(C)C)c1
InChIInChI=1S/C15H22ClNO/c1-10(2)15(9-17-12-5-6-12)18-14-8-11(3)4-7-13(14)16/h4,7-8,10,12,15,17H,5-6,9H2,1-3H3
InChIKeyRESAJPRARNEOHS-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine

N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 62485514) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
PubChem CID62485514
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OC(CNC2CC2)C(C)C)c1
InChIInChI=1S/C15H22ClNO/c1-10(2)15(9-17-12-5-6-12)18-14-8-11(3)4-7-13(14)16/h4,7-8,10,12,15,17H,5-6,9H2,1-3H3
InChIKeyRESAJPRARNEOHS-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 116690396
N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
CID 62485336
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62486419
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 62529959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine (CID 62485514) is N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine is Cc1ccc(Cl)c(OC(CNC2CC2)C(C)C)c1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is RESAJPRARNEOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)15(9-17-12-5-6-12)18-14-8-11(3)4-7-13(14)16/h4,7-8,10,12,15,17H,5-6,9H2,1-3H3.
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 267.80 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).