5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline

C19H32N2O — CID 82153259

IUPAC5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCNC2CCCCC2C)cc1N
InChIInChI=1S/C19H32N2O/c1-14(2)22-19-11-10-16(13-17(19)20)8-6-12-21-18-9-5-4-7-15(18)3/h10-11,13-15,18,21H,4-9,12,20H2,1-3H3
InChIKeyJPRLWLASOSSECI-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.16
Rot. Bonds7

About 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline

5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline (PubChem CID 82153259) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
PubChem CID82153259
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCNC2CCCCC2C)cc1N
InChIInChI=1S/C19H32N2O/c1-14(2)22-19-11-10-16(13-17(19)20)8-6-12-21-18-9-5-4-7-15(18)3/h10-11,13-15,18,21H,4-9,12,20H2,1-3H3
InChIKeyJPRLWLASOSSECI-UHFFFAOYSA-N
XLogP4.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
N-[3-[3-amino-4-(2-methylpropoxy)phenyl]propyl]cycloheptanamine
CID 94759806
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline
CID 84750578

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline?
The IUPAC name of 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline (CID 82153259) is 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline?
The canonical SMILES for 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline is CC(C)Oc1ccc(CCCNC2CCCCC2C)cc1N.
What is the InChIKey of 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline?
The InChIKey is JPRLWLASOSSECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14(2)22-19-11-10-16(13-17(19)20)8-6-12-21-18-9-5-4-7-15(18)3/h10-11,13-15,18,21H,4-9,12,20H2,1-3H3.
What are the key properties of 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline?
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline has a molecular weight of 304.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 82153259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).