N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

C18H25NO — CID 65008399

IUPACN-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESCOc1cc(C2(CNC3CC3)CC3(CC3)C2)ccc1C
InChIInChI=1S/C18H25NO/c1-13-3-4-14(9-16(13)20-2)18(12-19-15-5-6-15)10-17(11-18)7-8-17/h3-4,9,15,19H,5-8,10-12H2,1-2H3
InChIKeyKPJQZVQCIWLLOP-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.57
Rot. Bonds5

About N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (PubChem CID 65008399) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
PubChem CID65008399
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESCOc1cc(C2(CNC3CC3)CC3(CC3)C2)ccc1C
InChIInChI=1S/C18H25NO/c1-13-3-4-14(9-16(13)20-2)18(12-19-15-5-6-15)10-17(11-18)7-8-17/h3-4,9,15,19H,5-8,10-12H2,1-2H3
InChIKeyKPJQZVQCIWLLOP-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008450
N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424540
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008561
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519317
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (CID 65008399) is N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is COc1cc(C2(CNC3CC3)CC3(CC3)C2)ccc1C.
What is the InChIKey of N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The InChIKey is KPJQZVQCIWLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-3-4-14(9-16(13)20-2)18(12-19-15-5-6-15)10-17(11-18)7-8-17/h3-4,9,15,19H,5-8,10-12H2,1-2H3.
What are the key properties of N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine has a molecular weight of 271.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65008399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).