N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine

C18H27NO — CID 62595322

IUPACN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCOc1ccc(C2(CNC3CC3)CCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-20-17-10-6-15(7-11-17)18(14-19-16-8-9-16)12-4-2-3-5-13-18/h6-7,10-11,16,19H,2-5,8-9,12-14H2,1H3
InChIKeyBXYIIFAKDKTVBY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.04
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 62595322) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID62595322
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
SMILESCOc1ccc(C2(CNC3CC3)CCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-20-17-10-6-15(7-11-17)18(14-19-16-8-9-16)12-4-2-3-5-13-18/h6-7,10-11,16,19H,2-5,8-9,12-14H2,1H3
InChIKeyBXYIIFAKDKTVBY-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
CID 146167664
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]methyl]cyclopropanamine
CID 62596832

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine (CID 62595322) is N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine is COc1ccc(C2(CNC3CC3)CCCCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is BXYIIFAKDKTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-17-10-6-15(7-11-17)18(14-19-16-8-9-16)12-4-2-3-5-13-18/h6-7,10-11,16,19H,2-5,8-9,12-14H2,1H3.
What are the key properties of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 62595322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).