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

C17H16ClN — CID 118513324

IUPACN-[(10-chloroanthracen-9-yl)methyl]ethanamine
SMILESCCNCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C17H16ClN/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
InChIKeyLHTLOXNOKFNGTA-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.76
Rot. Bonds3

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

N-[(10-chloroanthracen-9-yl)methyl]ethanamine (PubChem CID 118513324) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[(10-chloroanthracen-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(10-chloroanthracen-9-yl)methyl]ethanamine
PubChem CID118513324
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC NameN-[(10-chloroanthracen-9-yl)methyl]ethanamine
SMILESCCNCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C17H16ClN/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
InChIKeyLHTLOXNOKFNGTA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 54.76
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;hydrochloride
CID 118513323
9-chloro-10-ethylanthracene
CID 23018360
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol
CID 56989680
1-[(10-chloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
CID 88618720
(1S)-2-[(10-chloroanthracen-9-yl)methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 99811946
N-[1-(10-chloroanthracen-9-yl)propan-2-yl]hydroxylamine;hydrochloride
CID 170891762
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
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
(2,3,4-trichloronaphthalen-1-yl)methanol
CID 178076089

Frequently Asked Questions

What is the IUPAC name of N-[(10-chloroanthracen-9-yl)methyl]ethanamine?
The IUPAC name of N-[(10-chloroanthracen-9-yl)methyl]ethanamine (CID 118513324) is N-[(10-chloroanthracen-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(10-chloroanthracen-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(10-chloroanthracen-9-yl)methyl]ethanamine is CCNCc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of N-[(10-chloroanthracen-9-yl)methyl]ethanamine?
The InChIKey is LHTLOXNOKFNGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/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.
What are the key properties of N-[(10-chloroanthracen-9-yl)methyl]ethanamine?
N-[(10-chloroanthracen-9-yl)methyl]ethanamine has a molecular weight of 269.78 g/mol, XLogP of 4.76, 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 is sourced from PubChem (CID 118513324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).