N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride

C19H22ClN — CID 50999583

IUPACN-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C19H21N.ClH/c1-14(2)12-20-13-19-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)19;/h3-11,14,20H,12-13H2,1-2H3;1H
InChIKeyXUWKZYSXGJPOKK-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.16
Rot. Bonds4

About N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride

N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 50999583) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID50999583
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C19H21N.ClH/c1-14(2)12-20-13-19-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)19;/h3-11,14,20H,12-13H2,1-2H3;1H
InChIKeyXUWKZYSXGJPOKK-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.16
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

1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
CID 111425237
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
N-(anthracen-9-ylmethyl)dodecan-1-amine
CID 101083896
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
CID 46221872
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
CID 62290073

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride (CID 50999583) is N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride is CC(C)CNCc1c2ccccc2cc2ccccc12.Cl.
What is the InChIKey of N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is XUWKZYSXGJPOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.ClH/c1-14(2)12-20-13-19-17-9-5-3-7-15(17)11-16-8-4-6-10-18(16)19;/h3-11,14,20H,12-13H2,1-2H3;1H.
What are the key properties of N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 50999583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).