10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride

C18H17Cl2N — CID 174903021

IUPAC10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride
SMILESC=CCc1ccc2c(N)c3ccccc3c(Cl)c2c1C.Cl
InChIInChI=1S/C18H16ClN.ClH/c1-3-6-12-9-10-15-16(11(12)2)17(19)13-7-4-5-8-14(13)18(15)20;/h3-5,7-10H,1,6,20H2,2H3;1H
InChIKeyGIEAWGYJYHYZFD-UHFFFAOYSA-N
MW318.25 g/mol
LogP5.69
Rot. Bonds2

About 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride

10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride (PubChem CID 174903021) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride.

Molecular Properties

Compound Name10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride
PubChem CID174903021
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride
SMILESC=CCc1ccc2c(N)c3ccccc3c(Cl)c2c1C.Cl
InChIInChI=1S/C18H16ClN.ClH/c1-3-6-12-9-10-15-16(11(12)2)17(19)13-7-4-5-8-14(13)18(15)20;/h3-5,7-10H,1,6,20H2,2H3;1H
InChIKeyGIEAWGYJYHYZFD-UHFFFAOYSA-N
XLogP5.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10-chloro-4-prop-2-enylanthracen-9-yl)methanamine;hydrochloride
CID 90242075
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
9,10-dichloro-1,2,3,4-tetramethylanthracene
CID 139963495
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
2-prop-2-enylaniline
CID 3036592
CID 88706279
CID 88706279
5-methyl-2-prop-2-enylaniline
CID 45078970
4-[(4-amino-2-chloro-3-methyl-5-prop-2-enylphenyl)-thiophen-2-ylmethyl]-3-chloro-2-methyl-6-prop-2-enylaniline
CID 91149444
2-(2-prop-2-enylphenyl)naphthalen-1-amine
CID 70019224
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-ethyl-2-prop-2-enylnaphthalene
CID 90721698

Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride?
The IUPAC name of 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride (CID 174903021) is 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride.
What is the SMILES notation for 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride?
The canonical SMILES for 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride is C=CCc1ccc2c(N)c3ccccc3c(Cl)c2c1C.Cl.
What is the InChIKey of 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride?
The InChIKey is GIEAWGYJYHYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN.ClH/c1-3-6-12-9-10-15-16(11(12)2)17(19)13-7-4-5-8-14(13)18(15)20;/h3-5,7-10H,1,6,20H2,2H3;1H.
What are the key properties of 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride?
10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride has a molecular weight of 318.25 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-methyl-3-prop-2-enylanthracen-9-amine;hydrochloride is sourced from PubChem (CID 174903021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).