N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane

C26H37NO — CID 143950720

IUPACN,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane
SMILESCC1CCCCC1.C[C@@H]1Cc2ccccc2C1Oc1cccc(CN(C)C)c1
InChIInChI=1S/C19H23NO.C7H14/c1-14-11-16-8-4-5-10-18(16)19(14)21-17-9-6-7-15(12-17)13-20(2)3;1-7-5-3-2-4-6-7/h4-10,12,14,19H,11,13H2,1-3H3;7H,2-6H2,1H3/t14-,19?;/m1./s1
InChIKeyLCFHJVGYFVRAFL-NWGPWHLASA-N
MW379.59 g/mol
LogP6.65
Rot. Bonds4

About N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane

N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane (PubChem CID 143950720) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane
PubChem CID143950720
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC NameN,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane
SMILESCC1CCCCC1.C[C@@H]1Cc2ccccc2C1Oc1cccc(CN(C)C)c1
InChIInChI=1S/C19H23NO.C7H14/c1-14-11-16-8-4-5-10-18(16)19(14)21-17-9-6-7-15(12-17)13-20(2)3;1-7-5-3-2-4-6-7/h4-10,12,14,19H,11,13H2,1-3H3;7H,2-6H2,1H3/t14-,19?;/m1./s1
InChIKeyLCFHJVGYFVRAFL-NWGPWHLASA-N
XLogP6.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 143950712
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
CID 65080920
(3-ethylphenoxy)cyclooctane
CID 91220327
N-ethenyl-3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]aniline;heptan-3-amine
CID 143950852
N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42246205
1-fluoropropane;3-methyl-1-[(1S)-1-(3-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidine;propan-2-one
CID 143950706
N-methyl-1-(3-phenylphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075653
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484
N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
CID 118760232

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane?
The IUPAC name of N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane (CID 143950720) is N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane.
What is the SMILES notation for N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane?
The canonical SMILES for N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane is CC1CCCCC1.C[C@@H]1Cc2ccccc2C1Oc1cccc(CN(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane?
The InChIKey is LCFHJVGYFVRAFL-NWGPWHLASA-N. The full InChI is InChI=1S/C19H23NO.C7H14/c1-14-11-16-8-4-5-10-18(16)19(14)21-17-9-6-7-15(12-17)13-20(2)3;1-7-5-3-2-4-6-7/h4-10,12,14,19H,11,13H2,1-3H3;7H,2-6H2,1H3/t14-,19?;/m1./s1.
What are the key properties of N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane?
N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane has a molecular weight of 379.59 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanamine;methylcyclohexane is sourced from PubChem (CID 143950720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).