N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline

C15H23NO — CID 64501251

IUPACN-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
SMILESCC1CCC(Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-6-13(7-9-15)16-14-5-4-12(3)10-14/h6-9,11-12,14,16H,4-5,10H2,1-3H3
InChIKeyWTBONVGTCXHNJW-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.07
Rot. Bonds4

About N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline

N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline (PubChem CID 64501251) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
PubChem CID64501251
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
SMILESCC1CCC(Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-6-13(7-9-15)16-14-5-4-12(3)10-14/h6-9,11-12,14,16H,4-5,10H2,1-3H3
InChIKeyWTBONVGTCXHNJW-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43772970
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
CID 64500639
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
CID 115744190
2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
CID 54491063
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline (CID 64501251) is N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline is CC1CCC(Nc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline?
The InChIKey is WTBONVGTCXHNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)17-15-8-6-13(7-9-15)16-14-5-4-12(3)10-14/h6-9,11-12,14,16H,4-5,10H2,1-3H3.
What are the key properties of N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline?
N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline has a molecular weight of 233.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 64501251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).