N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline

C19H32N2O — CID 84750578

IUPACN,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(CNC2CCCCC2C)ccc1N(C)C
InChIInChI=1S/C19H32N2O/c1-14(2)22-19-12-16(10-11-18(19)21(4)5)13-20-17-9-7-6-8-15(17)3/h10-12,14-15,17,20H,6-9,13H2,1-5H3
InChIKeyRSDYWKNYDFRDRS-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.21
Rot. Bonds6

About N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline

N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline (PubChem CID 84750578) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline
PubChem CID84750578
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(CNC2CCCCC2C)ccc1N(C)C
InChIInChI=1S/C19H32N2O/c1-14(2)22-19-12-16(10-11-18(19)21(4)5)13-20-17-9-7-6-8-15(17)3/h10-12,14-15,17,20H,6-9,13H2,1-5H3
InChIKeyRSDYWKNYDFRDRS-UHFFFAOYSA-N
XLogP4.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
CID 84750567
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
CID 82153259
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline (CID 84750578) is N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline is CC(C)Oc1cc(CNC2CCCCC2C)ccc1N(C)C.
What is the InChIKey of N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline?
The InChIKey is RSDYWKNYDFRDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14(2)22-19-12-16(10-11-18(19)21(4)5)13-20-17-9-7-6-8-15(17)3/h10-12,14-15,17,20H,6-9,13H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline?
N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline has a molecular weight of 304.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 84750578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).