N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine

C17H25NO — CID 112519191

IUPACN-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
SMILESCOc1cc(C(C)C)ccc1C1(CNC2CC2)CC1
InChIInChI=1S/C17H25NO/c1-12(2)13-4-7-15(16(10-13)19-3)17(8-9-17)11-18-14-5-6-14/h4,7,10,12,14,18H,5-6,8-9,11H2,1-3H3
InChIKeyMIXIOOCWARONNM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds6

About N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine

N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 112519191) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID112519191
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
SMILESCOc1cc(C(C)C)ccc1C1(CNC2CC2)CC1
InChIInChI=1S/C17H25NO/c1-12(2)13-4-7-15(16(10-13)19-3)17(8-9-17)11-18-14-5-6-14/h4,7,10,12,14,18H,5-6,8-9,11H2,1-3H3
InChIKeyMIXIOOCWARONNM-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4,5-dimethoxy-2-methylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519317
3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
CID 116871414
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
N-[[1-(2-methoxyphenyl)-3,3-dimethylcyclobutyl]methyl]cyclopropanamine
CID 64997645
N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
CID 62594253
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242735
N-cyclopropyl-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 177158445
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine (CID 112519191) is N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine is COc1cc(C(C)C)ccc1C1(CNC2CC2)CC1.
What is the InChIKey of N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is MIXIOOCWARONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)13-4-7-15(16(10-13)19-3)17(8-9-17)11-18-14-5-6-14/h4,7,10,12,14,18H,5-6,8-9,11H2,1-3H3.
What are the key properties of N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine?
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 112519191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).