N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine

C14H21NO — CID 130174466

IUPACN-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
SMILESCC1(CNCCOCc2ccccc2)CC1
InChIInChI=1S/C14H21NO/c1-14(7-8-14)12-15-9-10-16-11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyQFQJDKPVIHNSOF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds7

About N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine

N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine (PubChem CID 130174466) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
PubChem CID130174466
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
SMILESCC1(CNCCOCc2ccccc2)CC1
InChIInChI=1S/C14H21NO/c1-14(7-8-14)12-15-9-10-16-11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyQFQJDKPVIHNSOF-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 102940561
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
N-[(1-methylcyclopentyl)methyl]-2-phenylsulfanylethanamine
CID 79222635
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130536878
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine (CID 130174466) is N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine is CC1(CNCCOCc2ccccc2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine?
The InChIKey is QFQJDKPVIHNSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(7-8-14)12-15-9-10-16-11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine?
N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine is sourced from PubChem (CID 130174466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).