N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine

C15H22BrNO — CID 81378180

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1N[C@H](C)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(12-7-3-4-8-13(12)16)17-14-9-5-6-10-15(14)18-2/h3-4,7-8,11,14-15,17H,5-6,9-10H2,1-2H3/t11-,14?,15?/m1/s1
InChIKeyBJOUSBXMARXFMZ-VCANKDNSSA-N
MW312.25 g/mol
LogP4.06
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 81378180) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID81378180
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1N[C@H](C)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(12-7-3-4-8-13(12)16)17-14-9-5-6-10-15(14)18-2/h3-4,7-8,11,14-15,17H,5-6,9-10H2,1-2H3/t11-,14?,15?/m1/s1
InChIKeyBJOUSBXMARXFMZ-VCANKDNSSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81382952
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536151
2-bromo-N-(2-methoxycyclohexyl)aniline
CID 43762670
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 81378180) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1N[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is BJOUSBXMARXFMZ-VCANKDNSSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(12-7-3-4-8-13(12)16)17-14-9-5-6-10-15(14)18-2/h3-4,7-8,11,14-15,17H,5-6,9-10H2,1-2H3/t11-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 81378180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).