N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H28BrNO — CID 43710191

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc(Br)cc1CNC1CC(C)CCC1C(C)C
InChIInChI=1S/C18H28BrNO/c1-12(2)16-7-5-13(3)9-17(16)20-11-14-10-15(19)6-8-18(14)21-4/h6,8,10,12-13,16-17,20H,5,7,9,11H2,1-4H3
InChIKeyVNEVYAPFUQLEKJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.01
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43710191) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43710191
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc(Br)cc1CNC1CC(C)CCC1C(C)C
InChIInChI=1S/C18H28BrNO/c1-12(2)16-7-5-13(3)9-17(16)20-11-14-10-15(19)6-8-18(14)21-4/h6,8,10,12-13,16-17,20H,5,7,9,11H2,1-4H3
InChIKeyVNEVYAPFUQLEKJ-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 43710025
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615486
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43710191) is N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is COc1ccc(Br)cc1CNC1CC(C)CCC1C(C)C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is VNEVYAPFUQLEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-12(2)16-7-5-13(3)9-17(16)20-11-14-10-15(19)6-8-18(14)21-4/h6,8,10,12-13,16-17,20H,5,7,9,11H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43710191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).