N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine

C17H25NO — CID 65353208

IUPACN-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(C2(CNCC(C)C)CC=CC2)c1
InChIInChI=1S/C17H25NO/c1-14(2)12-18-13-17(9-4-5-10-17)15-7-6-8-16(11-15)19-3/h4-8,11,14,18H,9-10,12-13H2,1-3H3
InChIKeyOWRCBESYJDVHTM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.53
Rot. Bonds6

About N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65353208) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
PubChem CID65353208
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(C2(CNCC(C)C)CC=CC2)c1
InChIInChI=1S/C17H25NO/c1-14(2)12-18-13-17(9-4-5-10-17)15-7-6-8-16(11-15)19-3/h4-8,11,14,18H,9-10,12-13H2,1-3H3
InChIKeyOWRCBESYJDVHTM-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.53
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-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353730
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65010847
N-[[3,3-dimethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998081
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
1-methoxy-3-(1-phenylmethoxycyclohexa-2,4-dien-1-yl)benzene
CID 171034945
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine (CID 65353208) is N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine is COc1cccc(C2(CNCC(C)C)CC=CC2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OWRCBESYJDVHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)12-18-13-17(9-4-5-10-17)15-7-6-8-16(11-15)19-3/h4-8,11,14,18H,9-10,12-13H2,1-3H3.
What are the key properties of N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65353208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).