N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine

C12H17NO — CID 134421759

IUPACN-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
SMILESCOCNCC1(c2ccccc2)CC1
InChIInChI=1S/C12H17NO/c1-14-10-13-9-12(7-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyMVYLNQDJZKUKLH-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.91
Rot. Bonds5

About N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine

N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine (PubChem CID 134421759) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
PubChem CID134421759
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
SMILESCOCNCC1(c2ccccc2)CC1
InChIInChI=1S/C12H17NO/c1-14-10-13-9-12(7-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyMVYLNQDJZKUKLH-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride
CID 10617613
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
CID 65003420
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
1-(2-methoxyethyl)-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 75532561
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine (CID 134421759) is N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine is COCNCC1(c2ccccc2)CC1.
What is the InChIKey of N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is MVYLNQDJZKUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-10-13-9-12(7-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3.
What are the key properties of N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine?
N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 134421759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).