(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

C12H16Cl2N2 — CID 116943597

IUPAC(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2/c1-16-7-12(4-5-12)11(15)9-3-2-8(13)6-10(9)14/h2-3,6,11,16H,4-5,7,15H2,1H3
InChIKeySSVNGFADKXWSNC-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.99
Rot. Bonds4

About (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine

(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116943597) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116943597
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(N)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2/c1-16-7-12(4-5-12)11(15)9-3-2-8(13)6-10(9)14/h2-3,6,11,16H,4-5,7,15H2,1H3
InChIKeySSVNGFADKXWSNC-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116943597) is (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(N)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is SSVNGFADKXWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-16-7-12(4-5-12)11(15)9-3-2-8(13)6-10(9)14/h2-3,6,11,16H,4-5,7,15H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine?
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 259.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116943597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).