(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine

C16H24ClNO2 — CID 107000928

IUPAC(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCCOc1cc(Cl)c(C(N)C2CC2(C)C)cc1OCC
InChIInChI=1S/C16H24ClNO2/c1-5-19-13-7-10(12(17)8-14(13)20-6-2)15(18)11-9-16(11,3)4/h7-8,11,15H,5-6,9,18H2,1-4H3
InChIKeyLDQOIRAISIPXTC-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.18
Rot. Bonds6

About (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine

(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107000928) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107000928
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCCOc1cc(Cl)c(C(N)C2CC2(C)C)cc1OCC
InChIInChI=1S/C16H24ClNO2/c1-5-19-13-7-10(12(17)8-14(13)20-6-2)15(18)11-9-16(11,3)4/h7-8,11,15H,5-6,9,18H2,1-4H3
InChIKeyLDQOIRAISIPXTC-UHFFFAOYSA-N
XLogP4.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
(2,5-dichloro-4-ethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178137
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
CID 43330620
1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
CID 63444637
(2-chloro-4,5-diethoxyphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79810158
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
CID 106851517
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
2-[bromo-(2-chloro-4,5-diethoxyphenyl)methyl]-5-methyloxolane
CID 81329757

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine (CID 107000928) is (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine is CCOc1cc(Cl)c(C(N)C2CC2(C)C)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is LDQOIRAISIPXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-19-13-7-10(12(17)8-14(13)20-6-2)15(18)11-9-16(11,3)4/h7-8,11,15H,5-6,9,18H2,1-4H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine?
(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 297.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107000928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).