N-(cyclopropylmethyl)-2-phenylmethoxyethanamine

C13H19NO — CID 62566316

IUPACN-(cyclopropylmethyl)-2-phenylmethoxyethanamine
SMILESc1ccc(COCCNCC2CC2)cc1
InChIInChI=1S/C13H19NO/c1-2-4-13(5-3-1)11-15-9-8-14-10-12-6-7-12/h1-5,12,14H,6-11H2
InChIKeyKAFDBKSATGVSHE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds7

About N-(cyclopropylmethyl)-2-phenylmethoxyethanamine

N-(cyclopropylmethyl)-2-phenylmethoxyethanamine (PubChem CID 62566316) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-phenylmethoxyethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-phenylmethoxyethanamine
PubChem CID62566316
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(cyclopropylmethyl)-2-phenylmethoxyethanamine
SMILESc1ccc(COCCNCC2CC2)cc1
InChIInChI=1S/C13H19NO/c1-2-4-13(5-3-1)11-15-9-8-14-10-12-6-7-12/h1-5,12,14H,6-11H2
InChIKeyKAFDBKSATGVSHE-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
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

3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol
CID 67960829
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
CID 130174466

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-phenylmethoxyethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-phenylmethoxyethanamine (CID 62566316) is N-(cyclopropylmethyl)-2-phenylmethoxyethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-phenylmethoxyethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-phenylmethoxyethanamine is c1ccc(COCCNCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-phenylmethoxyethanamine?
The InChIKey is KAFDBKSATGVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-4-13(5-3-1)11-15-9-8-14-10-12-6-7-12/h1-5,12,14H,6-11H2.
What are the key properties of N-(cyclopropylmethyl)-2-phenylmethoxyethanamine?
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-phenylmethoxyethanamine is sourced from PubChem (CID 62566316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).