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

C15H21Cl2N — CID 114099692

IUPAC1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
SMILESCCCC1(CNC(C)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-3-6-15(7-8-15)10-18-11(2)13-9-12(16)4-5-14(13)17/h4-5,9,11,18H,3,6-8,10H2,1-2H3
InChIKeyASNXLESHIMPJQI-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.22
Rot. Bonds6

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

1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine (PubChem CID 114099692) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
PubChem CID114099692
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
SMILESCCCC1(CNC(C)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-3-6-15(7-8-15)10-18-11(2)13-9-12(16)4-5-14(13)17/h4-5,9,11,18H,3,6-8,10H2,1-2H3
InChIKeyASNXLESHIMPJQI-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 114107336
2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750621
2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
CID 113383829
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
(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
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
CID 61169291
N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410
N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine (CID 114099692) is 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine is CCCC1(CNC(C)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine?
The InChIKey is ASNXLESHIMPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-3-6-15(7-8-15)10-18-11(2)13-9-12(16)4-5-14(13)17/h4-5,9,11,18H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine?
1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine has a molecular weight of 286.25 g/mol, XLogP of 5.22, 6 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-propylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 114099692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).