(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine

C17H26BrNO2 — CID 103523408

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(OC)c(Br)c2OC)C1
InChIInChI=1S/C17H26BrNO2/c1-4-11-6-5-7-12(10-11)16(19)13-8-9-14(20-2)15(18)17(13)21-3/h8-9,11-12,16H,4-7,10,19H2,1-3H3
InChIKeyLMYWVEAEVNDQNS-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.68
Rot. Bonds5

About (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine

(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine (PubChem CID 103523408) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
PubChem CID103523408
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(OC)c(Br)c2OC)C1
InChIInChI=1S/C17H26BrNO2/c1-4-11-6-5-7-12(10-11)16(19)13-8-9-14(20-2)15(18)17(13)21-3/h8-9,11-12,16H,4-7,10,19H2,1-3H3
InChIKeyLMYWVEAEVNDQNS-UHFFFAOYSA-N
XLogP4.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine (CID 103523408) is (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine is CCC1CCCC(C(N)c2ccc(OC)c(Br)c2OC)C1.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is LMYWVEAEVNDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-4-11-6-5-7-12(10-11)16(19)13-8-9-14(20-2)15(18)17(13)21-3/h8-9,11-12,16H,4-7,10,19H2,1-3H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 356.30 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 103523408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).