N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine

C14H20BrNS — CID 114122665

IUPACN-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCC(NCc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-5,13-14,16H,6-10H2,1H3
InChIKeyMAFHZQHNLIVWMJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.21
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine

N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine (PubChem CID 114122665) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
PubChem CID114122665
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC NameN-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCC(NCc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-5,13-14,16H,6-10H2,1H3
InChIKeyMAFHZQHNLIVWMJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine (CID 114122665) is N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine is CSC1CCC(NCc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The InChIKey is MAFHZQHNLIVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-5,13-14,16H,6-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine?
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine has a molecular weight of 314.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114122665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).