1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C16H26ClFN2 — CID 114452251

IUPAC1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cc(F)cc(Cl)c1)N(C)C
InChIInChI=1S/C16H26ClFN2/c1-5-13(6-2)16(20(3)4)11-19-10-12-7-14(17)9-15(18)8-12/h7-9,13,16,19H,5-6,10-11H2,1-4H3
InChIKeyRGOWFJVHELTMMF-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.94
Rot. Bonds8

About 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 114452251) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID114452251
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cc(F)cc(Cl)c1)N(C)C
InChIInChI=1S/C16H26ClFN2/c1-5-13(6-2)16(20(3)4)11-19-10-12-7-14(17)9-15(18)8-12/h7-9,13,16,19H,5-6,10-11H2,1-4H3
InChIKeyRGOWFJVHELTMMF-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

5-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-fluorobenzonitrile
CID 107936103
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43432080
N-[(3-chloro-5-fluorophenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 114452806
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020
2-N,2-N,3-trimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]butane-1,2-diamine
CID 63051526
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 114452251) is 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNCc1cc(F)cc(Cl)c1)N(C)C.
What is the InChIKey of 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is RGOWFJVHELTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClFN2/c1-5-13(6-2)16(20(3)4)11-19-10-12-7-14(17)9-15(18)8-12/h7-9,13,16,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 300.85 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 114452251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).