N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine

C16H21NO — CID 114619665

IUPACN-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
SMILESC1=CC(Oc2cccc(CNC3CC3)c2)CCC1
InChIInChI=1S/C16H21NO/c1-2-6-15(7-3-1)18-16-8-4-5-13(11-16)12-17-14-9-10-14/h2,4-6,8,11,14-15,17H,1,3,7,9-10,12H2
InChIKeyQERKCZLFLACNIN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine

N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 114619665) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
PubChem CID114619665
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
SMILESC1=CC(Oc2cccc(CNC3CC3)c2)CCC1
InChIInChI=1S/C16H21NO/c1-2-6-15(7-3-1)18-16-8-4-5-13(11-16)12-17-14-9-10-14/h2,4-6,8,11,14-15,17H,1,3,7,9-10,12H2
InChIKeyQERKCZLFLACNIN-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 114619807
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[(2-bromo-5-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619885
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
CID 114619680
4-(3-cyclohex-2-en-1-yloxyphenyl)-1-phosphonobutane-1-sulfonic acid
CID 19705869
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine (CID 114619665) is N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine is C1=CC(Oc2cccc(CNC3CC3)c2)CCC1.
What is the InChIKey of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is QERKCZLFLACNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-6-15(7-3-1)18-16-8-4-5-13(11-16)12-17-14-9-10-14/h2,4-6,8,11,14-15,17H,1,3,7,9-10,12H2.
What are the key properties of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine?
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 114619665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).