N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine

C19H31NO — CID 64749252

IUPACN-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-13(2)20-12-17-10-15(4)19(16(5)11-17)21-18-8-6-14(3)7-9-18/h10-11,13-14,18,20H,6-9,12H2,1-5H3
InChIKeyZCXVSANKZBTSKP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.76
Rot. Bonds5

About N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine

N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine (PubChem CID 64749252) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
PubChem CID64749252
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C19H31NO/c1-13(2)20-12-17-10-15(4)19(16(5)11-17)21-18-8-6-14(3)7-9-18/h10-11,13-14,18,20H,6-9,12H2,1-5H3
InChIKeyZCXVSANKZBTSKP-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
CID 64750283
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 79892077
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60880054
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427
2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60880056
3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
CID 64749295
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine (CID 64749252) is N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cc(C)c1OC1CCC(C)CC1.
What is the InChIKey of N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is ZCXVSANKZBTSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)20-12-17-10-15(4)19(16(5)11-17)21-18-8-6-14(3)7-9-18/h10-11,13-14,18,20H,6-9,12H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 64749252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).