1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine

C15H21ClFN — CID 66040411

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H21ClFN/c1-4-11(3)9-12(18-5-2)10-13-14(16)7-6-8-15(13)17/h6-8,12,18H,3-5,9-10H2,1-2H3
InChIKeyLNCLRQWDQHBSIU-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.36
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine

1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine (PubChem CID 66040411) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
PubChem CID66040411
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H21ClFN/c1-4-11(3)9-12(18-5-2)10-13-14(16)7-6-8-15(13)17/h6-8,12,18H,3-5,9-10H2,1-2H3
InChIKeyLNCLRQWDQHBSIU-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,6-dichlorophenyl)-4-methylidenehexan-2-yl]hydrazine
CID 105209839
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(5-bromo-3-pyridinyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 104801929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine (CID 66040411) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine is C=C(CC)CC(Cc1c(F)cccc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine?
The InChIKey is LNCLRQWDQHBSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-4-11(3)9-12(18-5-2)10-13-14(16)7-6-8-15(13)17/h6-8,12,18H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine has a molecular weight of 269.79 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 66040411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).