N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine

C19H31NO — CID 64734740

IUPACN-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC(C)CC(Oc2ccc(CNC(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-14-10-15(2)12-18(11-14)21-17-8-6-16(7-9-17)13-20-19(3,4)5/h6-9,14-15,18,20H,10-13H2,1-5H3
InChIKeyULOJPXTWSVBHBB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.78
Rot. Bonds4

About N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine

N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 64734740) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID64734740
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC(C)CC(Oc2ccc(CNC(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-14-10-15(2)12-18(11-14)21-17-8-6-16(7-9-17)13-20-19(3,4)5/h6-9,14-15,18,20H,10-13H2,1-5H3
InChIKeyULOJPXTWSVBHBB-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62424303
4-[4-[(tert-butylamino)methyl]phenoxy]-1,1-dioxothiolan-3-ol
CID 63062037
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
[5-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79788126
5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
CID 63062040
1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
CID 167570136
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
(3-methylcyclobutyl)oxybenzene
CID 126670705

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine (CID 64734740) is N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine is CC1CC(C)CC(Oc2ccc(CNC(C)(C)C)cc2)C1.
What is the InChIKey of N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ULOJPXTWSVBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-10-15(2)12-18(11-14)21-17-8-6-16(7-9-17)13-20-19(3,4)5/h6-9,14-15,18,20H,10-13H2,1-5H3.
What are the key properties of N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64734740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).