N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline

C16H25NO2 — CID 80705000

IUPACN-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-16(2)9-8-14(12-16)17-13-4-6-15(7-5-13)19-11-10-18-3/h4-7,14,17H,8-12H2,1-3H3
InChIKeyOHEWQMRFZMMIMP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.70
Rot. Bonds6

About N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline

N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline (PubChem CID 80705000) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
PubChem CID80705000
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(NC2CCC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-16(2)9-8-14(12-16)17-13-4-6-15(7-5-13)19-11-10-18-3/h4-7,14,17H,8-12H2,1-3H3
InChIKeyOHEWQMRFZMMIMP-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-2-methoxyacetamide
CID 80705549
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
N-[4-(2-methoxyethoxy)phenyl]-4,4-dimethylthian-3-amine
CID 79949028
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
CID 79942281
4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
CID 114543414
4-[3-[(3,3-dimethylcyclopentyl)amino]phenoxy]butanenitrile
CID 80705014
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
3-N-(3,3-dimethylcyclopentyl)-5-methoxybenzene-1,3-diamine
CID 114543322
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
3-[4-[(5,5-dimethylthian-3-yl)amino]phenoxy]propanamide
CID 79953359

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline (CID 80705000) is N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline is COCCOc1ccc(NC2CCC(C)(C)C2)cc1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline?
The InChIKey is OHEWQMRFZMMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)9-8-14(12-16)17-13-4-6-15(7-5-13)19-11-10-18-3/h4-7,14,17H,8-12H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline?
N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline has a molecular weight of 263.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 80705000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).