N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine

C16H23NO2 — CID 43276489

IUPACN-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(OC2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C16H23NO2/c1-18-15-8-9-16(19-14-4-2-3-5-14)12(10-15)11-17-13-6-7-13/h8-10,13-14,17H,2-7,11H2,1H3
InChIKeyDIZVSTHTWSKOCU-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.27
Rot. Bonds6

About N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine

N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 43276489) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
PubChem CID43276489
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(OC2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C16H23NO2/c1-18-15-8-9-16(19-14-4-2-3-5-14)12(10-15)11-17-13-6-7-13/h8-10,13-14,17H,2-7,11H2,1H3
InChIKeyDIZVSTHTWSKOCU-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64748456
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine (CID 43276489) is N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine is COc1ccc(OC2CCCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is DIZVSTHTWSKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-8-9-16(19-14-4-2-3-5-14)12(10-15)11-17-13-6-7-13/h8-10,13-14,17H,2-7,11H2,1H3.
What are the key properties of N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine?
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 261.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43276489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).