cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine

C16H23NO — CID 167856974

IUPACcis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCC(N[C@@H]1C[C@@H]1c1ccccc1)C1CCCOC1
InChIInChI=1S/C16H23NO/c1-12(14-8-5-9-18-11-14)17-16-10-15(16)13-6-3-2-4-7-13/h2-4,6-7,12,14-17H,5,8-11H2,1H3/t12?,14?,15-,16-/m1/s1
InChIKeyYWYZPWFXIWQXTQ-AHNOJICISA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds4

About cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine

cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 167856974) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
PubChem CID167856974
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Namecis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCC(N[C@@H]1C[C@@H]1c1ccccc1)C1CCCOC1
InChIInChI=1S/C16H23NO/c1-12(14-8-5-9-18-11-14)17-16-10-15(16)13-6-3-2-4-7-13/h2-4,6-7,12,14-17H,5,8-11H2,1H3/t12?,14?,15-,16-/m1/s1
InChIKeyYWYZPWFXIWQXTQ-AHNOJICISA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 115889451
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid
CID 174804524
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
cis-(1S,2S)-2-phenyl-N-[(2S,3R)-3-phenylbutan-2-yl]cyclopropan-1-amine
CID 124886159
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154807938
(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
CID 101393454
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
3-(2-methoxyphenyl)-N-[1-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 115919997
N-(2-phenylcyclohexyl)oxolan-3-amine
CID 80716893
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine (CID 167856974) is cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine is CC(N[C@@H]1C[C@@H]1c1ccccc1)C1CCCOC1.
What is the InChIKey of cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is YWYZPWFXIWQXTQ-AHNOJICISA-N. The full InChI is InChI=1S/C16H23NO/c1-12(14-8-5-9-18-11-14)17-16-10-15(16)13-6-3-2-4-7-13/h2-4,6-7,12,14-17H,5,8-11H2,1H3/t12?,14?,15-,16-/m1/s1.
What are the key properties of cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 167856974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).