4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline

C16H26N2O — CID 83002820

IUPAC4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCCCCC2C)ccc1N
InChIInChI=1S/C16H26N2O/c1-12(2)19-16-11-14(8-9-15(16)17)18-10-6-4-5-7-13(18)3/h8-9,11-13H,4-7,10,17H2,1-3H3
InChIKeyZNLSXDRKHLIAAB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.82
Rot. Bonds3

About 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline

4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline (PubChem CID 83002820) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline
PubChem CID83002820
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCCCCC2C)ccc1N
InChIInChI=1S/C16H26N2O/c1-12(2)19-16-11-14(8-9-15(16)17)18-10-6-4-5-7-13(18)3/h8-9,11-13H,4-7,10,17H2,1-3H3
InChIKeyZNLSXDRKHLIAAB-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propan-2-yloxyaniline
CID 83004516
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
4-(azocan-1-yl)-2-propan-2-yloxyaniline
CID 83002719
4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
CID 83002865
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-[(2S)-2-methylpiperidin-1-yl]-2-(trifluoromethyl)aniline
CID 30048695
2-(difluoromethoxy)-4-(2,3-dimethylpiperidin-1-yl)aniline
CID 165477384
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
CID 102955586
1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 77241165
4-(3-ethylmorpholin-4-yl)-2-propan-2-yloxyaniline
CID 83001872
5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
CID 86323809
2-propan-2-yloxy-4-(1,4-thiazepan-4-yl)aniline
CID 83002240

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline (CID 83002820) is 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCCCCC2C)ccc1N.
What is the InChIKey of 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline?
The InChIKey is ZNLSXDRKHLIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-16-11-14(8-9-15(16)17)18-10-6-4-5-7-13(18)3/h8-9,11-13H,4-7,10,17H2,1-3H3.
What are the key properties of 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline?
4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).