[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine

C11H14ClNO — CID 126973987

IUPAC[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine
SMILESCc1cc(OC2(CN)CC2)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-8-6-9(2-3-10(8)12)14-11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyDWCPGKYIUBMNQD-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.52
Rot. Bonds3

About [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine

[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine (PubChem CID 126973987) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine
PubChem CID126973987
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine
SMILESCc1cc(OC2(CN)CC2)ccc1Cl
InChIInChI=1S/C11H14ClNO/c1-8-6-9(2-3-10(8)12)14-11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyDWCPGKYIUBMNQD-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858
2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide
CID 43176403
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
(4-chloro-3-methylphenoxy)-trimethylsilane
CID 13432543
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
[4-[(4-chloro-3-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006047
[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624779
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine?
The IUPAC name of [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine (CID 126973987) is [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine is Cc1cc(OC2(CN)CC2)ccc1Cl.
What is the InChIKey of [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine?
The InChIKey is DWCPGKYIUBMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-6-9(2-3-10(8)12)14-11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine?
[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine has a molecular weight of 211.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine is sourced from PubChem (CID 126973987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).