N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride

C17H17Cl2N — CID 118513323

IUPACN-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1c2ccccc2c(Cl)c2ccccc12.Cl
InChIInChI=1S/C17H16ClN.ClH/c1-2-19-11-16-12-7-3-5-9-14(12)17(18)15-10-6-4-8-13(15)16;/h3-10,19H,2,11H2,1H3;1H
InChIKeyYXSXYEVZRYQLGQ-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.18
Rot. Bonds3

About N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride

N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride (PubChem CID 118513323) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
PubChem CID118513323
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC NameN-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1c2ccccc2c(Cl)c2ccccc12.Cl
InChIInChI=1S/C17H16ClN.ClH/c1-2-19-11-16-12-7-3-5-9-14(12)17(18)15-10-6-4-8-13(15)16;/h3-10,19H,2,11H2,1H3;1H
InChIKeyYXSXYEVZRYQLGQ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(10-chloroanthracen-9-yl)methyl]ethanamine
CID 118513324
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
9-chloro-10-ethylanthracene
CID 23018360
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
CID 88618720
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
CID 56989680
N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
CID 170891762
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
(1S)-2-[(10-chloroanthracen-9-yl)methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 99811946
N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride
CID 25195436
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
9-(bromomethyl)-10-chlorophenanthrene
CID 614395
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502

Frequently Asked Questions

What is the IUPAC name of N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride (CID 118513323) is N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride is CCNCc1c2ccccc2c(Cl)c2ccccc12.Cl.
What is the InChIKey of N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride?
The InChIKey is YXSXYEVZRYQLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN.ClH/c1-2-19-11-16-12-7-3-5-9-14(12)17(18)15-10-6-4-8-13(15)16;/h3-10,19H,2,11H2,1H3;1H.
What are the key properties of N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride?
N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride has a molecular weight of 306.24 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10-chloroanthracen-9-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 118513323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).