N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine

C17H26ClNO — CID 70851876

IUPACN-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine
SMILESCOc1cc(C(C)C)c(C(C)NC2CCCC2)cc1Cl
InChIInChI=1S/C17H26ClNO/c1-11(2)14-10-17(20-4)16(18)9-15(14)12(3)19-13-7-5-6-8-13/h9-13,19H,5-8H2,1-4H3
InChIKeyDUPBYRZNDSRVIY-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.07
Rot. Bonds5

About N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine

N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine (PubChem CID 70851876) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine
PubChem CID70851876
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine
SMILESCOc1cc(C(C)C)c(C(C)NC2CCCC2)cc1Cl
InChIInChI=1S/C17H26ClNO/c1-11(2)14-10-17(20-4)16(18)9-15(14)12(3)19-13-7-5-6-8-13/h9-13,19H,5-8H2,1-4H3
InChIKeyDUPBYRZNDSRVIY-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine
CID 70851885
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83155006
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
CID 83155291
N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
CID 70849705
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine (CID 70851876) is N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine is COc1cc(C(C)C)c(C(C)NC2CCCC2)cc1Cl.
What is the InChIKey of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine?
The InChIKey is DUPBYRZNDSRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-11(2)14-10-17(20-4)16(18)9-15(14)12(3)19-13-7-5-6-8-13/h9-13,19H,5-8H2,1-4H3.
What are the key properties of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine?
N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine has a molecular weight of 295.85 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 70851876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).