N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine

C17H25NO — CID 62594616

IUPACN-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
SMILESCOc1cccc(C2(CNC3CC3)CCCCC2)c1
InChIInChI=1S/C17H25NO/c1-19-16-7-5-6-14(12-16)17(10-3-2-4-11-17)13-18-15-8-9-15/h5-7,12,15,18H,2-4,8-11,13H2,1H3
InChIKeyBRHXGPDHYJXDQN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.65
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine

N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62594616) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID62594616
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
SMILESCOc1cccc(C2(CNC3CC3)CCCCC2)c1
InChIInChI=1S/C17H25NO/c1-19-16-7-5-6-14(12-16)17(10-3-2-4-11-17)13-18-15-8-9-15/h5-7,12,15,18H,2-4,8-11,13H2,1H3
InChIKeyBRHXGPDHYJXDQN-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79679358
N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595905
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
4-[[1-(3-methylphenyl)cyclohexyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030435
3-amino-4-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]cyclobut-3-ene-1,2-dione
CID 167876645
1-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111109756
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915676
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
3-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 126782574
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine (CID 62594616) is N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine is COc1cccc(C2(CNC3CC3)CCCCC2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is BRHXGPDHYJXDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-16-7-5-6-14(12-16)17(10-3-2-4-11-17)13-18-15-8-9-15/h5-7,12,15,18H,2-4,8-11,13H2,1H3.
What are the key properties of N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62594616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).