N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride

C17H17Cl2NO — CID 170891762

IUPACN-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
SMILESCC(Cc1c2ccccc2c(Cl)c2ccccc12)NO.Cl
InChIInChI=1S/C17H16ClNO.ClH/c1-11(19-20)10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16;/h2-9,11,19-20H,10H2,1H3;1H
InChIKeyPHKDBABTJGFNPB-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.98
Rot. Bonds3

About N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride

N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride (PubChem CID 170891762) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
PubChem CID170891762
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
SMILESCC(Cc1c2ccccc2c(Cl)c2ccccc12)NO.Cl
InChIInChI=1S/C17H16ClNO.ClH/c1-11(19-20)10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16;/h2-9,11,19-20H,10H2,1H3;1H
InChIKeyPHKDBABTJGFNPB-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
CID 118513323
2-[(10-chloroanthracen-9-yl)methyl]propanedioic acid
CID 154187172
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
CID 88618720
N-[(10-chloroanthracen-9-yl)methyl]ethanamine
CID 118513324
N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine
CID 164724189
9-chloro-10-ethylanthracene
CID 23018360
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
CID 56989680
9-(bromomethyl)-10-chlorophenanthrene
CID 614395
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383
(2,3,4-trichloronaphthalen-1-yl)methanol
CID 178076089
5-chloro-11-methyl-6-(2-methylpropyl)benzo[a]carbazole
CID 102263923
1-anthracen-9-ylpropan-2-ol
CID 19889136

Frequently Asked Questions

What is the IUPAC name of N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride?
The IUPAC name of N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride (CID 170891762) is N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride?
The canonical SMILES for N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride is CC(Cc1c2ccccc2c(Cl)c2ccccc12)NO.Cl.
What is the InChIKey of N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride?
The InChIKey is PHKDBABTJGFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO.ClH/c1-11(19-20)10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16;/h2-9,11,19-20H,10H2,1H3;1H.
What are the key properties of N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride?
N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride has a molecular weight of 322.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride is sourced from PubChem (CID 170891762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).