N-methyl-4-propan-2-yloxyaniline

C10H15NO — CID 18002910

IUPACN-methyl-4-propan-2-yloxyaniline
SMILESCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C10H15NO/c1-8(2)12-10-6-4-9(11-3)5-7-10/h4-8,11H,1-3H3
InChIKeyHLKXEQAYKCBPNT-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-4-propan-2-yloxyaniline

N-methyl-4-propan-2-yloxyaniline (PubChem CID 18002910) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxyaniline
PubChem CID18002910
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-4-propan-2-yloxyaniline
SMILESCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C10H15NO/c1-8(2)12-10-6-4-9(11-3)5-7-10/h4-8,11H,1-3H3
InChIKeyHLKXEQAYKCBPNT-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.52
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

4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027164
4-butan-2-yloxy-N-methylaniline
CID 54803415
1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
CID 59748887
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline
CID 143373878
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
(4-propan-2-yloxyphenyl)thiourea;hydrochloride
CID 139878067
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxyaniline?
The IUPAC name of N-methyl-4-propan-2-yloxyaniline (CID 18002910) is N-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-methyl-4-propan-2-yloxyaniline is CNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-4-propan-2-yloxyaniline?
The InChIKey is HLKXEQAYKCBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)12-10-6-4-9(11-3)5-7-10/h4-8,11H,1-3H3.
What are the key properties of N-methyl-4-propan-2-yloxyaniline?
N-methyl-4-propan-2-yloxyaniline has a molecular weight of 165.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 18002910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).