N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline

C16H23NO — CID 43173366

IUPACN-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-11(2)18-15-9-7-14(8-10-15)17-16(12-3-4-12)13-5-6-13/h7-13,16-17H,3-6H2,1-2H3
InChIKeyYUHNXEFFEZOVDD-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.07
Rot. Bonds6

About N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline

N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline (PubChem CID 43173366) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
PubChem CID43173366
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-11(2)18-15-9-7-14(8-10-15)17-16(12-3-4-12)13-5-6-13/h7-13,16-17H,3-6H2,1-2H3
InChIKeyYUHNXEFFEZOVDD-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
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'}

Analyze N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
3-chloro-N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43727182
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
N-methyl-4-propan-2-yloxyaniline
CID 18002910
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-(3-methylcyclopentyl)-4-propan-2-yloxyaniline
CID 64501251
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline (CID 43173366) is N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is YUHNXEFFEZOVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)18-15-9-7-14(8-10-15)17-16(12-3-4-12)13-5-6-13/h7-13,16-17H,3-6H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline?
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 245.37 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-(dicyclopropylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 43173366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).