1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine

C14H19Cl2N — CID 114107336

IUPAC1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC(NCC1(C)CCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N/c1-10(17-9-14(2)6-3-7-14)12-8-11(15)4-5-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyXJGZOGIGZOKQJL-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.83
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine

1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 114107336) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID114107336
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC(NCC1(C)CCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N/c1-10(17-9-14(2)6-3-7-14)12-8-11(15)4-5-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyXJGZOGIGZOKQJL-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 55259288
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113493904
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 63822376
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63983384

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 114107336) is 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine is CC(NCC1(C)CCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is XJGZOGIGZOKQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10(17-9-14(2)6-3-7-14)12-8-11(15)4-5-13(12)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 272.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114107336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).