N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine

C17H25NO2 — CID 61344979

IUPACN-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1OCC1CCCC1
InChIInChI=1S/C17H25NO2/c1-19-17-10-14(11-18-15-7-8-15)6-9-16(17)20-12-13-4-2-3-5-13/h6,9-10,13,15,18H,2-5,7-8,11-12H2,1H3
InChIKeyXDHJTTQNAPRCFH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.52
Rot. Bonds7

About N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine

N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 61344979) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
PubChem CID61344979
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1OCC1CCCC1
InChIInChI=1S/C17H25NO2/c1-19-17-10-14(11-18-15-7-8-15)6-9-16(17)20-12-13-4-2-3-5-13/h6,9-10,13,15,18H,2-5,7-8,11-12H2,1H3
InChIKeyXDHJTTQNAPRCFH-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine (CID 61344979) is N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine is COc1cc(CNC2CC2)ccc1OCC1CCCC1.
What is the InChIKey of N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is XDHJTTQNAPRCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-17-10-14(11-18-15-7-8-15)6-9-16(17)20-12-13-4-2-3-5-13/h6,9-10,13,15,18H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61344979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).