[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol

C11H15ClNOP — CID 143618087

IUPAC[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol
SMILESNC[C@@]1(c2ccc(Cl)c(P)c2)C[C@H]1CO
InChIInChI=1S/C11H15ClNOP/c12-9-2-1-7(3-10(9)15)11(6-13)4-8(11)5-14/h1-3,8,14H,4-6,13,15H2/t8-,11+/m0/s1
InChIKeyHJTUDBKONGSUCF-GZMMTYOYSA-N
MW243.67 g/mol
LogP1.05
Rot. Bonds3

About [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol

[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol (PubChem CID 143618087) has the molecular formula C11H15ClNOP and a molecular weight of 243.67 g/mol. Its IUPAC name is [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol
PubChem CID143618087
Molecular FormulaC11H15ClNOP
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol
SMILESNC[C@@]1(c2ccc(Cl)c(P)c2)C[C@H]1CO
InChIInChI=1S/C11H15ClNOP/c12-9-2-1-7(3-10(9)15)11(6-13)4-8(11)5-14/h1-3,8,14H,4-6,13,15H2/t8-,11+/m0/s1
InChIKeyHJTUDBKONGSUCF-GZMMTYOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
CID 68947425
[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
CID 59779155
[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol
CID 135193000
1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene
CID 130646142
trans-(1S,2R)-1-(4-chloro-3-phosphanylphenyl)-2-methylcyclopropane-1-carbonitrile
CID 143618098
[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
CID 58566857
[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;dihydrochloride
CID 161074997
trans-(1S,2S)-1-(4-chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 118093337
trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 68674581
cis-(1S,2R)-1-(3-chloro-4-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 68944629
trans-(1R,2R)-2-(2-aminoethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 122473386
[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
CID 95002734

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol (CID 143618087) is [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol is NC[C@@]1(c2ccc(Cl)c(P)c2)C[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol?
The InChIKey is HJTUDBKONGSUCF-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H15ClNOP/c12-9-2-1-7(3-10(9)15)11(6-13)4-8(11)5-14/h1-3,8,14H,4-6,13,15H2/t8-,11+/m0/s1.
What are the key properties of [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol?
[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol has a molecular weight of 243.67 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 143618087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).