N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine

C17H25NO — CID 106930859

IUPACN-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(C(CNC2CC2)COCC2CC2)c1
InChIInChI=1S/C17H25NO/c1-13-3-2-4-15(9-13)16(10-18-17-7-8-17)12-19-11-14-5-6-14/h2-4,9,14,16-18H,5-8,10-12H2,1H3
InChIKeyHTSVOJZDNWTCPQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine

N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine (PubChem CID 106930859) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
PubChem CID106930859
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(C(CNC2CC2)COCC2CC2)c1
InChIInChI=1S/C17H25NO/c1-13-3-2-4-15(9-13)16(10-18-17-7-8-17)12-19-11-14-5-6-14/h2-4,9,14,16-18H,5-8,10-12H2,1H3
InChIKeyHTSVOJZDNWTCPQ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
1-chloro-3-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931388

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine (CID 106930859) is N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine is Cc1cccc(C(CNC2CC2)COCC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine?
The InChIKey is HTSVOJZDNWTCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-3-2-4-15(9-13)16(10-18-17-7-8-17)12-19-11-14-5-6-14/h2-4,9,14,16-18H,5-8,10-12H2,1H3.
What are the key properties of N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine?
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 106930859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).