(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine

C19H29NO — CID 116766932

IUPAC(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
SMILESCCOC1(C(N)C2CC2c2ccccc2)CCC(C)CC1
InChIInChI=1S/C19H29NO/c1-3-21-19(11-9-14(2)10-12-19)18(20)17-13-16(17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13,20H2,1-2H3
InChIKeySZUTWBVKSZBYOY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.10
Rot. Bonds5

About (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine

(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 116766932) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
PubChem CID116766932
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
SMILESCCOC1(C(N)C2CC2c2ccccc2)CCC(C)CC1
InChIInChI=1S/C19H29NO/c1-3-21-19(11-9-14(2)10-12-19)18(20)17-13-16(17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13,20H2,1-2H3
InChIKeySZUTWBVKSZBYOY-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
CID 3129812
Cambridge id 6000352
CID 3132829
(1-Methoxy-4-phenylcyclohexyl)methanamine hydrochloride
CID 119031296
3-(2-Ethyl-2-methyloxan-4-yl)-3-(4-methylphenyl)propan-1-amine
CID 3132847
2-[4-[(4-Fluorophenyl)methyl]cyclohexyl]oxolane-3,4-diamine
CID 21916643
2-[4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl]oxyethanamine
CID 57695780
(1R,2S,4R)-4-(2-ethoxyprop-2-enyl)-2-(3-fluorophenyl)cyclohexan-1-amine
CID 68013073
2-[4-[4-(3-Fluoro-4-methylphenyl)cyclohexyl]cyclohexyl]oxyethanamine
CID 70837878
(3S)-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propan-1-amine
CID 144392470
1-[4-(2,3,6-Trifluorophenyl)cyclohexyl]oxypropan-2-amine
CID 167101207
2-[[4-(3-Fluorophenyl)cyclohexyl]oxymethyl]pentane-1,3-diamine
CID 170638276
2-[2,2-Dimethyl-4-(4-methylphenyl)oxan-4-yl]ethanamine
CID 3129805

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine (CID 116766932) is (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine is CCOC1(C(N)C2CC2c2ccccc2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is SZUTWBVKSZBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-21-19(11-9-14(2)10-12-19)18(20)17-13-16(17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13,20H2,1-2H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine?
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116766932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).