N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine

C14H21NO — CID 63326809

IUPACN-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1ccc(C)cc1CNC1CC1
InChIInChI=1S/C14H21NO/c1-3-8-16-14-7-4-11(2)9-12(14)10-15-13-5-6-13/h4,7,9,13,15H,3,5-6,8,10H2,1-2H3
InChIKeyGWOSNTLWLADJPF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds6

About N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine

N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine (PubChem CID 63326809) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
PubChem CID63326809
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1ccc(C)cc1CNC1CC1
InChIInChI=1S/C14H21NO/c1-3-8-16-14-7-4-11(2)9-12(14)10-15-13-5-6-13/h4,7,9,13,15H,3,5-6,8,10H2,1-2H3
InChIKeyGWOSNTLWLADJPF-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
CID 63326550
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine (CID 63326809) is N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine is CCCOc1ccc(C)cc1CNC1CC1.
What is the InChIKey of N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
The InChIKey is GWOSNTLWLADJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-8-16-14-7-4-11(2)9-12(14)10-15-13-5-6-13/h4,7,9,13,15H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63326809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).