N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine

C17H26BrNO2 — CID 66535507

IUPACN-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
SMILESCCCOc1cc(Br)c(CNC2CCCCC2)cc1OC
InChIInChI=1S/C17H26BrNO2/c1-3-9-21-17-11-15(18)13(10-16(17)20-2)12-19-14-7-5-4-6-8-14/h10-11,14,19H,3-9,12H2,1-2H3
InChIKeyLABBYTBQQUFCDS-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.67
Rot. Bonds7

About N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine

N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine (PubChem CID 66535507) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
PubChem CID66535507
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
SMILESCCCOc1cc(Br)c(CNC2CCCCC2)cc1OC
InChIInChI=1S/C17H26BrNO2/c1-3-9-21-17-11-15(18)13(10-16(17)20-2)12-19-14-7-5-4-6-8-14/h10-11,14,19H,3-9,12H2,1-2H3
InChIKeyLABBYTBQQUFCDS-UHFFFAOYSA-N
XLogP4.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
CID 66525622
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453715
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 66535438
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 66534993
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66534939
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 55188586
(3S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]oxan-3-amine
CID 98485911
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine (CID 66535507) is N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine is CCCOc1cc(Br)c(CNC2CCCCC2)cc1OC.
What is the InChIKey of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine?
The InChIKey is LABBYTBQQUFCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-9-21-17-11-15(18)13(10-16(17)20-2)12-19-14-7-5-4-6-8-14/h10-11,14,19H,3-9,12H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine?
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine has a molecular weight of 356.30 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 66535507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).