N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine

C14H21NO — CID 112517810

IUPACN-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
SMILESCCCOc1ccc(C2(CNC)CC2)cc1
InChIInChI=1S/C14H21NO/c1-3-10-16-13-6-4-12(5-7-13)14(8-9-14)11-15-2/h4-7,15H,3,8-11H2,1-2H3
InChIKeyCNIAGURBRRXFOY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine

N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine (PubChem CID 112517810) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
PubChem CID112517810
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
SMILESCCCOc1ccc(C2(CNC)CC2)cc1
InChIInChI=1S/C14H21NO/c1-3-10-16-13-6-4-12(5-7-13)14(8-9-14)11-15-2/h4-7,15H,3,8-11H2,1-2H3
InChIKeyCNIAGURBRRXFOY-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
1-(1-hexylcyclohexyl)-4-pentoxybenzene
CID 70489126
4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
CID 116989151
1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
CID 112518490
1-[3-ethyl-1-(4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 64997584
1-(4-propoxyphenyl)cyclohexane-1,4-diamine
CID 175562161
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273824
[2-(4-propoxyphenyl)oxan-2-yl]silane
CID 123149147
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine (CID 112517810) is N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine is CCCOc1ccc(C2(CNC)CC2)cc1.
What is the InChIKey of N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine?
The InChIKey is CNIAGURBRRXFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-10-16-13-6-4-12(5-7-13)14(8-9-14)11-15-2/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine?
N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 112517810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).