N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine

C15H22BrNS — CID 114122278

IUPACN-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NC(C)c2ccccc2Br)C1
InChIInChI=1S/C15H22BrNS/c1-11(14-8-3-4-9-15(14)16)17-12-6-5-7-13(10-12)18-2/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3
InChIKeyTTYACKALBQAFKI-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.77
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine

N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 114122278) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID114122278
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NC(C)c2ccccc2Br)C1
InChIInChI=1S/C15H22BrNS/c1-11(14-8-3-4-9-15(14)16)17-12-6-5-7-13(10-12)18-2/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3
InChIKeyTTYACKALBQAFKI-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 103784544
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
2-[1-[(3-methylsulfanylcyclohexyl)amino]propyl]phenol
CID 104924871
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine (CID 114122278) is N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine is CSC1CCCC(NC(C)c2ccccc2Br)C1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is TTYACKALBQAFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-11(14-8-3-4-9-15(14)16)17-12-6-5-7-13(10-12)18-2/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114122278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).