N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine

C19H27NO — CID 114523573

IUPACN-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
SMILESc1cc(OC2CC2)cc(C2CCCCC2CNC2CC2)c1
InChIInChI=1S/C19H27NO/c1-2-7-19(15(4-1)13-20-16-8-9-16)14-5-3-6-18(12-14)21-17-10-11-17/h3,5-6,12,15-17,19-20H,1-2,4,7-11,13H2
InChIKeySNTQGZSXRASADX-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.25
Rot. Bonds6

About N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 114523573) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID114523573
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
SMILESc1cc(OC2CC2)cc(C2CCCCC2CNC2CC2)c1
InChIInChI=1S/C19H27NO/c1-2-7-19(15(4-1)13-20-16-8-9-16)14-5-3-6-18(12-14)21-17-10-11-17/h3,5-6,12,15-17,19-20H,1-2,4,7-11,13H2
InChIKeySNTQGZSXRASADX-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
CID 116546483
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034354
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine (CID 114523573) is N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine is c1cc(OC2CC2)cc(C2CCCCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is SNTQGZSXRASADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-7-19(15(4-1)13-20-16-8-9-16)14-5-3-6-18(12-14)21-17-10-11-17/h3,5-6,12,15-17,19-20H,1-2,4,7-11,13H2.
What are the key properties of N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114523573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).