N-(3-ethylcyclopentyl)-3-propoxyaniline

C16H25NO — CID 64501066

IUPACN-(3-ethylcyclopentyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC2CCC(CC)C2)c1
InChIInChI=1S/C16H25NO/c1-3-10-18-16-7-5-6-14(12-16)17-15-9-8-13(4-2)11-15/h5-7,12-13,15,17H,3-4,8-11H2,1-2H3
InChIKeyBDTCIMCXCWZKCU-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.47
Rot. Bonds6

About N-(3-ethylcyclopentyl)-3-propoxyaniline

N-(3-ethylcyclopentyl)-3-propoxyaniline (PubChem CID 64501066) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-3-propoxyaniline
PubChem CID64501066
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-ethylcyclopentyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC2CCC(CC)C2)c1
InChIInChI=1S/C16H25NO/c1-3-10-18-16-7-5-6-14(12-16)17-15-9-8-13(4-2)11-15/h5-7,12-13,15,17H,3-4,8-11H2,1-2H3
InChIKeyBDTCIMCXCWZKCU-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-(3-phenylcyclobutyl)-3-propoxyaniline
CID 43693771
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
2-[3-[(4-ethylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721135
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
4-[2-(dimethylamino)ethoxy]-N-(3-ethylcyclopentyl)aniline
CID 64502151
1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
CID 80559817
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-3-propoxyaniline?
The IUPAC name of N-(3-ethylcyclopentyl)-3-propoxyaniline (CID 64501066) is N-(3-ethylcyclopentyl)-3-propoxyaniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-3-propoxyaniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-3-propoxyaniline is CCCOc1cccc(NC2CCC(CC)C2)c1.
What is the InChIKey of N-(3-ethylcyclopentyl)-3-propoxyaniline?
The InChIKey is BDTCIMCXCWZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-18-16-7-5-6-14(12-16)17-15-9-8-13(4-2)11-15/h5-7,12-13,15,17H,3-4,8-11H2,1-2H3.
What are the key properties of N-(3-ethylcyclopentyl)-3-propoxyaniline?
N-(3-ethylcyclopentyl)-3-propoxyaniline has a molecular weight of 247.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-3-propoxyaniline is sourced from PubChem (CID 64501066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).