N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline

C16H19ClN2O — CID 66417261

IUPACN-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCc2ccccc2N)cc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-16-8-7-13(9-14(16)17)19-10-12-5-3-4-6-15(12)18/h3-9,11,19H,10,18H2,1-2H3
InChIKeyQYMXMZNNARWFQW-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.32
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline

N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline (PubChem CID 66417261) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline
PubChem CID66417261
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCc2ccccc2N)cc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-16-8-7-13(9-14(16)17)19-10-12-5-3-4-6-15(12)18/h3-9,11,19H,10,18H2,1-2H3
InChIKeyQYMXMZNNARWFQW-UHFFFAOYSA-N
XLogP4.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445695
4-[(3-chloro-4-propan-2-yloxyanilino)methyl]benzene-1,3-diol
CID 43727146
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445564
3-chloro-N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 43727125
3-chloro-4-propan-2-yloxy-N-(pyridin-4-ylmethyl)aniline
CID 43727132
3-chloro-N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxyaniline
CID 43727082
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
3-chloro-N-[(4-chlorothiophen-2-yl)methyl]-4-propan-2-yloxyaniline
CID 79420590
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 43727111
3-chloro-N-[(1-ethylpyrrol-2-yl)methyl]-4-propan-2-yloxyaniline
CID 66412521

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline (CID 66417261) is N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCc2ccccc2N)cc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline?
The InChIKey is QYMXMZNNARWFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)20-16-8-7-13(9-14(16)17)19-10-12-5-3-4-6-15(12)18/h3-9,11,19H,10,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline?
N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline has a molecular weight of 290.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-chloro-4-propan-2-yloxyaniline is sourced from PubChem (CID 66417261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).