N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine

C19H29NO — CID 115953881

IUPACN-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OC1CC(C)CC(C)C1
InChIInChI=1S/C19H29NO/c1-13-9-14(2)11-18(10-13)21-19-15(3)5-4-6-16(19)12-20-17-7-8-17/h4-6,13-14,17-18,20H,7-12H2,1-3H3
InChIKeyDPNQREKXLYRDOY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.45
Rot. Bonds5

About N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine

N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 115953881) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
PubChem CID115953881
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cccc(CNC2CC2)c1OC1CC(C)CC(C)C1
InChIInChI=1S/C19H29NO/c1-13-9-14(2)11-18(10-13)21-19-15(3)5-4-6-16(19)12-20-17-7-8-17/h4-6,13-14,17-18,20H,7-12H2,1-3H3
InChIKeyDPNQREKXLYRDOY-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methanol
CID 112612421
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine (CID 115953881) is N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine is Cc1cccc(CNC2CC2)c1OC1CC(C)CC(C)C1.
What is the InChIKey of N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is DPNQREKXLYRDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-9-14(2)11-18(10-13)21-19-15(3)5-4-6-16(19)12-20-17-7-8-17/h4-6,13-14,17-18,20H,7-12H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine?
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).