(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine

C15H21Cl2NO — CID 107178137

IUPAC(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine
SMILESCCOc1cc(Cl)c(C(N)C2CCCC2C)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-3-19-14-8-12(16)11(7-13(14)17)15(18)10-6-4-5-9(10)2/h7-10,15H,3-6,18H2,1-2H3
InChIKeyJQJBMUTYGVWXDC-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.83
Rot. Bonds4

About (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine

(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine (PubChem CID 107178137) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine
PubChem CID107178137
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine
SMILESCCOc1cc(Cl)c(C(N)C2CCCC2C)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-3-19-14-8-12(16)11(7-13(14)17)15(18)10-6-4-5-9(10)2/h7-10,15H,3-6,18H2,1-2H3
InChIKeyJQJBMUTYGVWXDC-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000928
1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874589
2-bromo-4-[chloro-(2-methylcyclopentyl)methyl]-1-ethoxybenzene
CID 107182624
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
CID 63444637
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
CID 107187965

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine (CID 107178137) is (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine is CCOc1cc(Cl)c(C(N)C2CCCC2C)cc1Cl.
What is the InChIKey of (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine?
The InChIKey is JQJBMUTYGVWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-19-14-8-12(16)11(7-13(14)17)15(18)10-6-4-5-9(10)2/h7-10,15H,3-6,18H2,1-2H3.
What are the key properties of (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine?
(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine has a molecular weight of 302.25 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107178137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).