1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

C19H29NO — CID 114523600

IUPAC1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cccc(OC2CC2)c1
InChIInChI=1S/C19H29NO/c1-19(2)10-9-15(13-20-3)18(12-19)14-5-4-6-17(11-14)21-16-7-8-16/h4-6,11,15-16,18,20H,7-10,12-13H2,1-3H3
InChIKeyISEJQMXNIIQDGW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.36
Rot. Bonds5

About 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 114523600) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID114523600
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cccc(OC2CC2)c1
InChIInChI=1S/C19H29NO/c1-19(2)10-9-15(13-20-3)18(12-19)14-5-4-6-17(11-14)21-16-7-8-16/h4-6,11,15-16,18,20H,7-10,12-13H2,1-3H3
InChIKeyISEJQMXNIIQDGW-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 114523600) is 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1cccc(OC2CC2)c1.
What is the InChIKey of 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is ISEJQMXNIIQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2)10-9-15(13-20-3)18(12-19)14-5-4-6-17(11-14)21-16-7-8-16/h4-6,11,15-16,18,20H,7-10,12-13H2,1-3H3.
What are the key properties of 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114523600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).