2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine

C13H17NO — CID 171544604

IUPAC2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine
SMILESCNCC(OCc1ccccc1)=C1CC1
InChIInChI=1S/C13H17NO/c1-14-9-13(12-7-8-12)15-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyPGQZRWGGGJVRLJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.47
Rot. Bonds5

About 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine

2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine (PubChem CID 171544604) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine
PubChem CID171544604
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine
SMILESCNCC(OCc1ccccc1)=C1CC1
InChIInChI=1S/C13H17NO/c1-14-9-13(12-7-8-12)15-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyPGQZRWGGGJVRLJ-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl (2R)-2-amino-3-(methylamino)propanoate
CID 95383646
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl acetate
CID 8785
O-benzyl chloromethanethioate
CID 15014336
benzyl N-methylprop-2-enimidate
CID 123917828
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine?
The IUPAC name of 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine (CID 171544604) is 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine.
What is the SMILES notation for 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine?
The canonical SMILES for 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine is CNCC(OCc1ccccc1)=C1CC1.
What is the InChIKey of 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine?
The InChIKey is PGQZRWGGGJVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-9-13(12-7-8-12)15-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine?
2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylidene-N-methyl-2-phenylmethoxyethanamine is sourced from PubChem (CID 171544604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).