1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C19H29NO — CID 79755102

IUPAC1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(C2CCCCC2)cc1)C1CCOC1C
InChIInChI=1S/C19H29NO/c1-14-18(12-13-21-14)19(20-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18-20H,3-7,12-13H2,1-2H3
InChIKeyOMXBVPQHZJHTCP-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 79755102) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID79755102
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(C2CCCCC2)cc1)C1CCOC1C
InChIInChI=1S/C19H29NO/c1-14-18(12-13-21-14)19(20-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18-20H,3-7,12-13H2,1-2H3
InChIKeyOMXBVPQHZJHTCP-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760213
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758919
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662
N-methyl-1-(2-methyloxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131015363
N-methyl-1-(2-methyloxolan-3-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018149

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 79755102) is 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(c1ccc(C2CCCCC2)cc1)C1CCOC1C.
What is the InChIKey of 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is OMXBVPQHZJHTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-18(12-13-21-14)19(20-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18-20H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79755102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).