cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine

C16H24BrNO — CID 10358996

IUPACcis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCCC[C@@H]1c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-3-10-18-16-7-5-4-6-13(16)14-11-12(19-2)8-9-15(14)17/h8-9,11,13,16,18H,3-7,10H2,1-2H3/t13-,16-/m1/s1
InChIKeyJCBFGIFEXXSOLP-CZUORRHYSA-N
MW326.28 g/mol
LogP4.48
Rot. Bonds5

About cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine

cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine (PubChem CID 10358996) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
PubChem CID10358996
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Namecis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
SMILESCCCN[C@@H]1CCCC[C@@H]1c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-3-10-18-16-7-5-4-6-13(16)14-11-12(19-2)8-9-15(14)17/h8-9,11,13,16,18H,3-7,10H2,1-2H3/t13-,16-/m1/s1
InChIKeyJCBFGIFEXXSOLP-CZUORRHYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine (CID 10358996) is cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine is CCCN[C@@H]1CCCC[C@@H]1c1cc(OC)ccc1Br.
What is the InChIKey of cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine?
The InChIKey is JCBFGIFEXXSOLP-CZUORRHYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-10-18-16-7-5-4-6-13(16)14-11-12(19-2)8-9-15(14)17/h8-9,11,13,16,18H,3-7,10H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine?
cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 10358996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).