N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine

C14H21NO — CID 62704932

IUPACN-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
SMILESCCCOc1cccc(C2CC2CNC)c1
InChIInChI=1S/C14H21NO/c1-3-7-16-13-6-4-5-11(8-13)14-9-12(14)10-15-2/h4-6,8,12,14-15H,3,7,9-10H2,1-2H3
InChIKeyIJIKZCIEHCKWCK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds6

About N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine

N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine (PubChem CID 62704932) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
PubChem CID62704932
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
SMILESCCCOc1cccc(C2CC2CNC)c1
InChIInChI=1S/C14H21NO/c1-3-7-16-13-6-4-5-11(8-13)14-9-12(14)10-15-2/h4-6,8,12,14-15H,3,7,9-10H2,1-2H3
InChIKeyIJIKZCIEHCKWCK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(chloromethyl)cyclopropyl]-3-propoxybenzene
CID 81358665
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337
1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558340
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide
CID 70274491
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine (CID 62704932) is N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine is CCCOc1cccc(C2CC2CNC)c1.
What is the InChIKey of N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine?
The InChIKey is IJIKZCIEHCKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-16-13-6-4-5-11(8-13)14-9-12(14)10-15-2/h4-6,8,12,14-15H,3,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine?
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 62704932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).