1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde

C20H21NO2 — CID 155266576

IUPAC1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde
SMILESN[C@H]1C[C@@H]1c1ccc(COc2ccc(C3(C=O)CC3)cc2)cc1
InChIInChI=1S/C20H21NO2/c21-19-11-18(19)15-3-1-14(2-4-15)12-23-17-7-5-16(6-8-17)20(13-22)9-10-20/h1-8,13,18-19H,9-12,21H2/t18-,19+/m1/s1
InChIKeyWDXDCNJCLHHBBO-MOPGFXCFSA-N
MW307.39 g/mol
LogP3.31
Rot. Bonds6

About 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde

1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde (PubChem CID 155266576) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde
PubChem CID155266576
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde
SMILESN[C@H]1C[C@@H]1c1ccc(COc2ccc(C3(C=O)CC3)cc2)cc1
InChIInChI=1S/C20H21NO2/c21-19-11-18(19)15-3-1-14(2-4-15)12-23-17-7-5-16(6-8-17)20(13-22)9-10-20/h1-8,13,18-19H,9-12,21H2/t18-,19+/m1/s1
InChIKeyWDXDCNJCLHHBBO-MOPGFXCFSA-N
XLogP3.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
2-(4-butoxyphenyl)cyclopropan-1-amine
CID 59628060
1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexane-1,4-diamine
CID 135367914
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
CID 89492554
ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
CID 145400535
1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
CID 134350485
4-N-methyl-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexane-1,4-diamine
CID 137462773
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde (CID 155266576) is 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde is N[C@H]1C[C@@H]1c1ccc(COc2ccc(C3(C=O)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde?
The InChIKey is WDXDCNJCLHHBBO-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H21NO2/c21-19-11-18(19)15-3-1-14(2-4-15)12-23-17-7-5-16(6-8-17)20(13-22)9-10-20/h1-8,13,18-19H,9-12,21H2/t18-,19+/m1/s1.
What are the key properties of 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde?
1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde has a molecular weight of 307.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 155266576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).