N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine

C13H17NO — CID 114521707

IUPACN-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OC2CC2)c1
InChIInChI=1S/C13H17NO/c1-2-10(9-14-11-4-5-11)8-13(3-1)15-12-6-7-12/h1-3,8,11-12,14H,4-7,9H2
InChIKeyIUKZMSXGJDQBJT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.48
Rot. Bonds5

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

N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine (PubChem CID 114521707) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
PubChem CID114521707
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OC2CC2)c1
InChIInChI=1S/C13H17NO/c1-2-10(9-14-11-4-5-11)8-13(3-1)15-12-6-7-12/h1-3,8,11-12,14H,4-7,9H2
InChIKeyIUKZMSXGJDQBJT-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619665
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
(3-cyclopropyloxyphenyl)methanol
CID 57336629
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888078
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine (CID 114521707) is N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine is c1cc(CNC2CC2)cc(OC2CC2)c1.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine?
The InChIKey is IUKZMSXGJDQBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-10(9-14-11-4-5-11)8-13(3-1)15-12-6-7-12/h1-3,8,11-12,14H,4-7,9H2.
What are the key properties of N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine?
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine has a molecular weight of 203.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 114521707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).