(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine

C15H21BrClNO — CID 106826764

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)C1(C)CCCCC1
InChIInChI=1S/C15H21BrClNO/c1-15(6-4-3-5-7-15)14(18)11-8-10(17)9-12(16)13(11)19-2/h8-9,14H,3-7,18H2,1-2H3
InChIKeyDBUCTHPMENIYBB-UHFFFAOYSA-N
MW346.70 g/mol
LogP5.08
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine

(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine (PubChem CID 106826764) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
PubChem CID106826764
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)C1(C)CCCCC1
InChIInChI=1S/C15H21BrClNO/c1-15(6-4-3-5-7-15)14(18)11-8-10(17)9-12(16)13(11)19-2/h8-9,14H,3-7,18H2,1-2H3
InChIKeyDBUCTHPMENIYBB-UHFFFAOYSA-N
XLogP5.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.70
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-chloro-3-[chloro-(2,2-dimethylcyclopentyl)methyl]-2-methoxybenzene
CID 107181907
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106830353
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine (CID 106826764) is (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine is COc1c(Br)cc(Cl)cc1C(N)C1(C)CCCCC1.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine?
The InChIKey is DBUCTHPMENIYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-15(6-4-3-5-7-15)14(18)11-8-10(17)9-12(16)13(11)19-2/h8-9,14H,3-7,18H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine?
(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine has a molecular weight of 346.70 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106826764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).