N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine

C19H29NO — CID 105348984

IUPACN-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-15(13-20-18-11-12-18)17-9-7-16(8-10-17)14-21-19-5-3-2-4-6-19/h7-10,15,18-20H,2-6,11-14H2,1H3
InChIKeyDPORZKNRNSACDZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.39
Rot. Bonds7

About N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine

N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine (PubChem CID 105348984) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
PubChem CID105348984
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-15(13-20-18-11-12-18)17-9-7-16(8-10-17)14-21-19-5-3-2-4-6-19/h7-10,15,18-20H,2-6,11-14H2,1H3
InChIKeyDPORZKNRNSACDZ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
CID 106205781
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105350983
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine (CID 105348984) is N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine is CC(CNC1CC1)c1ccc(COC2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine?
The InChIKey is DPORZKNRNSACDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(13-20-18-11-12-18)17-9-7-16(8-10-17)14-21-19-5-3-2-4-6-19/h7-10,15,18-20H,2-6,11-14H2,1H3.
What are the key properties of N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine?
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 105348984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).