N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline

C15H23NO — CID 115917457

IUPACN-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
SMILESCC(CC1CC1)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-6-14(7-9-15)16-12(3)10-13-4-5-13/h6-9,11-13,16H,4-5,10H2,1-3H3
InChIKeyKVTPIGHCRDMODD-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.07
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline

N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline (PubChem CID 115917457) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
PubChem CID115917457
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
SMILESCC(CC1CC1)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-6-14(7-9-15)16-12(3)10-13-4-5-13/h6-9,11-13,16H,4-5,10H2,1-3H3
InChIKeyKVTPIGHCRDMODD-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
methyl 3-(4-propan-2-yloxyanilino)butanoate
CID 43536837
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline (CID 115917457) is N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline is CC(CC1CC1)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline?
The InChIKey is KVTPIGHCRDMODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)17-15-8-6-14(7-9-15)16-12(3)10-13-4-5-13/h6-9,11-13,16H,4-5,10H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline?
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline has a molecular weight of 233.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 115917457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).