N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine

C15H24ClNOS — CID 75470334

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
SMILESCC(C)OC1CCC(NC(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H24ClNOS/c1-10(2)18-13-6-4-12(5-7-13)17-11(3)14-8-9-15(16)19-14/h8-13,17H,4-7H2,1-3H3
InChIKeyGXJDAWCSZXSEMK-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.79
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine (PubChem CID 75470334) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
PubChem CID75470334
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
SMILESCC(C)OC1CCC(NC(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H24ClNOS/c1-10(2)18-13-6-4-12(5-7-13)17-11(3)14-8-9-15(16)19-14/h8-13,17H,4-7H2,1-3H3
InChIKeyGXJDAWCSZXSEMK-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
CID 64910199
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
CID 103082789
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
CID 62093216

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine (CID 75470334) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine is CC(C)OC1CCC(NC(C)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine?
The InChIKey is GXJDAWCSZXSEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-10(2)18-13-6-4-12(5-7-13)17-11(3)14-8-9-15(16)19-14/h8-13,17H,4-7H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine has a molecular weight of 301.88 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 75470334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).