N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine

C13H20BrNS — CID 63458492

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1cc(Br)cs1)CC1CCCCC1
InChIInChI=1S/C13H20BrNS/c1-15(8-11-5-3-2-4-6-11)9-13-7-12(14)10-16-13/h7,10-11H,2-6,8-9H2,1H3
InChIKeyFXYWHPHTSAYEED-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.52
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 63458492) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
PubChem CID63458492
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1cc(Br)cs1)CC1CCCCC1
InChIInChI=1S/C13H20BrNS/c1-15(8-11-5-3-2-4-6-11)9-13-7-12(14)10-16-13/h7,10-11H,2-6,8-9H2,1H3
InChIKeyFXYWHPHTSAYEED-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864847
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
CID 115239944
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609628
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 103061385
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55211598
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine (CID 63458492) is N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine is CN(Cc1cc(Br)cs1)CC1CCCCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is FXYWHPHTSAYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-15(8-11-5-3-2-4-6-11)9-13-7-12(14)10-16-13/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine has a molecular weight of 302.28 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 63458492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).