(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine

C13H18ClNO — CID 107001396

IUPAC(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CC1(C)C
InChIInChI=1S/C13H18ClNO/c1-13(2)7-10(13)12(15)9-6-8(14)4-5-11(9)16-3/h4-6,10,12H,7,15H2,1-3H3
InChIKeyGEQFJWGTGOUUCV-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.39
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107001396) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107001396
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CC1(C)C
InChIInChI=1S/C13H18ClNO/c1-13(2)7-10(13)12(15)9-6-8(14)4-5-11(9)16-3/h4-6,10,12H,7,15H2,1-3H3
InChIKeyGEQFJWGTGOUUCV-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(5-chloro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
CID 115386747
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine (CID 107001396) is (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine is COc1ccc(Cl)cc1C(N)C1CC1(C)C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is GEQFJWGTGOUUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2)7-10(13)12(15)9-6-8(14)4-5-11(9)16-3/h4-6,10,12H,7,15H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 239.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107001396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).