N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine

C15H21NO — CID 39248013

IUPACN-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
SMILESc1cc(OC2CCCC2)ccc1CNC1CC1
InChIInChI=1S/C15H21NO/c1-2-4-14(3-1)17-15-9-5-12(6-10-15)11-16-13-7-8-13/h5-6,9-10,13-14,16H,1-4,7-8,11H2
InChIKeyVOSNTODGUPDKDP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine

N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine (PubChem CID 39248013) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
PubChem CID39248013
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
SMILESc1cc(OC2CCCC2)ccc1CNC1CC1
InChIInChI=1S/C15H21NO/c1-2-4-14(3-1)17-15-9-5-12(6-10-15)11-16-13-7-8-13/h5-6,9-10,13-14,16H,1-4,7-8,11H2
InChIKeyVOSNTODGUPDKDP-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038365
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine (CID 39248013) is N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine is c1cc(OC2CCCC2)ccc1CNC1CC1.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
The InChIKey is VOSNTODGUPDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-4-14(3-1)17-15-9-5-12(6-10-15)11-16-13-7-8-13/h5-6,9-10,13-14,16H,1-4,7-8,11H2.
What are the key properties of N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 39248013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).